3-Amino-5-(aminomethyl)-1H-indazole - CAS 267876-23-3
Catalog: |
BB019361 |
Product Name: |
3-Amino-5-(aminomethyl)-1H-indazole |
CAS: |
267876-23-3 |
Synonyms: |
5-(aminomethyl)-1H-indazol-3-amine; 5-(aminomethyl)-1H-indazol-3-amine |
IUPAC Name: | 5-(aminomethyl)-1H-indazol-3-amine |
Description: | 3-Amino-5-(aminomethyl)-1H-indazole (CAS# 267876-23-3) is an intermediate in the preparation of thrombin inhibitors. |
Molecular Weight: | 162.19 |
Molecular Formula: | C8H10N4 |
Canonical SMILES: | C1=CC2=C(C=C1CN)C(=NN2)N |
InChI: | InChI=1S/C8H10N4/c9-4-5-1-2-7-6(3-5)8(10)12-11-7/h1-3H,4,9H2,(H3,10,11,12) |
InChI Key: | KVMMHNZNFNONKD-UHFFFAOYSA-N |
LogP: | 1.23420 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-6506754-B1 | Non-covalent thrombin inhibitors | 20000414 |
US-6506760-B1 | Substituted hydrazinyl heteroaromatic inhibitors of thrombin | 20000414 |
US-6506761-B1 | Substituted hydrazinyl heteroaromatic inhibitors of thrombin | 20000414 |
US-6541467-B1 | Thrombin inhibitors having a lactam at P3 | 20000414 |
WO-0179195-A2 | Pyridine and pyrazine derivatives as thrombin inhibitors | 20000414 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 162.090546336 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 162.090546336 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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