(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride

C7H9ClN4S — CID 50988713

IUPAC(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C7H8N4S.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2,(H,9,10,11);1H
InChIKeyXAOKESRLAREFME-UHFFFAOYSA-N
MW216.70 g/mol
LogP1.41
Rot. Bonds2

About (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride

(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride (PubChem CID 50988713) has the molecular formula C7H9ClN4S and a molecular weight of 216.70 g/mol. Its IUPAC name is (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
PubChem CID50988713
Molecular FormulaC7H9ClN4S
Molecular Weight216.70 g/mol
Exact Mass216.02
IUPAC Name(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C7H8N4S.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2,(H,9,10,11);1H
InChIKeyXAOKESRLAREFME-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.70
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(prop-2-enylthio)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 339578
1H-1,2,4-Triazole, 3-amino-5-(2-thenyl)-
CID 3052733
5-(thiophen-2-yl)-4H-1,2,4-triazol-3-amine
CID 10797134
1-(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)imidazolidine-2-thione
CID 172436984
3,5-di(2-thienyl)-4H-1,2,4-triazol-4-amine
CID 3822215
3-methylsulfanyl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 339579
1-[5-(thiophen-2-yl)-1H-1,2,4-triazol-3-yl]ethan-1-amine hydrochloride
CID 137971719
3-(prop-2-yn-1-ylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazole
CID 2743058
5-ethylsulfanyl-3-(2-thienyl)-1H-1,2,4-triazole
CID 9118339
5-butylsulfanyl-3-(2-thienyl)-1H-1,2,4-triazole
CID 52482343
3-(5-ethyl-4H-1,2,4-triazol-3-yl)-1-(2-thienylmethyl)piperidine
CID 53192105
1-[(3-methyl-2-thienyl)methyl]-4-(5-methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 53192266

Frequently Asked Questions

What is the IUPAC name of (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The IUPAC name of (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride (CID 50988713) is (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride is Cl.NCc1nc(-c2cccs2)n[nH]1.
What is the InChIKey of (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
The InChIKey is XAOKESRLAREFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S.ClH/c8-4-6-9-7(11-10-6)5-2-1-3-12-5;/h1-3H,4,8H2,(H,9,10,11);1H.
What are the key properties of (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride?
(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride has a molecular weight of 216.70 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 50988713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).