3-(aminomethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride - CAS 367250-06-4
Catalog: |
BB023044 |
Product Name: |
3-(aminomethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride |
CAS: |
367250-06-4 |
Synonyms: |
3-(aminomethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride; 3-(aminomethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride |
IUPAC Name: | 3-(aminomethyl)-1,4-dihydro-1,2,4-triazol-5-one;hydrochloride |
Description: | 3-(aminomethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one hydrochloride (CAS# 367250-06-4) is a useful research chemical. |
Molecular Weight: | 150.566 |
Molecular Formula: | C3H7ClN4O |
Canonical SMILES: | C(C1=NNC(=O)N1)N.Cl |
InChI: | InChI=1S/C3H6N4O.ClH/c4-1-2-5-3(8)7-6-2;/h1,4H2,(H2,5,6,7,8);1H |
InChI Key: | CBVIQSDAULZQOS-UHFFFAOYSA-N |
MDL: | MFCD06738798 |
LogP: | 0.05900 |
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 |
CA-3022318-A1 | 6-aminopyridin-3-yl thiazoles as modulators of ror.gamma.t | 20160427 |
JP-2019515924-A | 6-Aminopyridin-3-ylthiazole as a modulator of RORγt | 20160427 |
KR-20180135962-A | 6-Aminopyridin-3-ylthiazole | 20160427 |
TW-201803869-A | 6-aminopyridin-3-ylthiazole as a RORγT modulator | 20160427 |
US-2017313691-A1 | 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT | 20160427 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0308386 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0308386 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 79.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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