1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride

C6H13ClN4S — CID 21478201

IUPAC1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride
SMILESCC(N)CSc1nncn1C.Cl
InChIInChI=1S/C6H12N4S.ClH/c1-5(7)3-11-6-9-8-4-10(6)2;/h4-5H,3,7H2,1-2H3;1H
InChIKeyJSKYSYQYEZOXDY-UHFFFAOYSA-N
MW208.72 g/mol
LogP0.68
Rot. Bonds3

About 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride

1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride (PubChem CID 21478201) has the molecular formula C6H13ClN4S and a molecular weight of 208.72 g/mol. Its IUPAC name is 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride
PubChem CID21478201
Molecular FormulaC6H13ClN4S
Molecular Weight208.72 g/mol
Exact Mass208.05
IUPAC Name1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride
SMILESCC(N)CSc1nncn1C.Cl
InChIInChI=1S/C6H12N4S.ClH/c1-5(7)3-11-6-9-8-4-10(6)2;/h4-5H,3,7H2,1-2H3;1H
InChIKeyJSKYSYQYEZOXDY-UHFFFAOYSA-N
XLogP0.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.72
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride (CID 21478201) is 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride is CC(N)CSc1nncn1C.Cl.
What is the InChIKey of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride?
The InChIKey is JSKYSYQYEZOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S.ClH/c1-5(7)3-11-6-9-8-4-10(6)2;/h4-5H,3,7H2,1-2H3;1H.
What are the key properties of 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride?
1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride has a molecular weight of 208.72 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 21478201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).