3-Amino-1-methyl-1,2,4-triazole - CAS 49607-51-4
Catalog: |
BB026747 |
Product Name: |
3-Amino-1-methyl-1,2,4-triazole |
CAS: |
49607-51-4 |
Synonyms: |
1-methyl-1,2,4-triazol-3-amine; 1-methyl-1,2,4-triazol-3-amine |
IUPAC Name: | 1-methyl-1,2,4-triazol-3-amine |
Description: | 3-Amino-1-methyl-1,2,4-triazole (CAS# 49607-51-4) is a useful research chemical. |
Molecular Weight: | 98.11 |
Molecular Formula: | C3H6N4 |
Canonical SMILES: | CN1C=NC(=N1)N |
InChI: | InChI=1S/C3H6N4/c1-7-2-5-3(4)6-7/h2H,1H3,(H2,4,6) |
InChI Key: | CNSCXLZIKKHZND-UHFFFAOYSA-N |
MDL: | MFCD12405025 |
LogP: | -0.02150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021055849-A1 | Headgroup lipid compounds and compositions for intracellular delivery of therapeutic agents | 20190919 |
US-2021030003-A1 | Heterocyclic compound and arthropod pest control composition containing same | 20180330 |
JP-2021512158-A | Rho-related protein kinase modulator | 20180125 |
US-2021059255-A1 | Heterocyclic compounds and noxious arthropod control agent containing same | 20171226 |
US-2020399278-A1 | Heterocyclic compounds and noxious arthropod control agent containing same | 20171225 |
Complexity: | 64 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 98.059246208 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 98.059246208 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.2 |
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Amines and Anilines
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