3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride

C6H13ClN4 — CID 56828131

IUPAC3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
SMILESCc1nc(CCCN)n[nH]1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-5-8-6(10-9-5)3-2-4-7;/h2-4,7H2,1H3,(H,8,9,10);1H
InChIKeyAWNOYXDEBJGGBW-UHFFFAOYSA-N
MW176.65 g/mol
LogP0.43
Rot. Bonds3

About 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride

3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride (PubChem CID 56828131) has the molecular formula C6H13ClN4 and a molecular weight of 176.65 g/mol. Its IUPAC name is 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
PubChem CID56828131
Molecular FormulaC6H13ClN4
Molecular Weight176.65 g/mol
Exact Mass176.08
IUPAC Name3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
SMILESCc1nc(CCCN)n[nH]1.Cl
InChIInChI=1S/C6H12N4.ClH/c1-5-8-6(10-9-5)3-2-4-7;/h2-4,7H2,1H3,(H,8,9,10);1H
InChIKeyAWNOYXDEBJGGBW-UHFFFAOYSA-N
XLogP0.43
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride (CID 56828131) is 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride is Cc1nc(CCCN)n[nH]1.Cl.
What is the InChIKey of 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
The InChIKey is AWNOYXDEBJGGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.ClH/c1-5-8-6(10-9-5)3-2-4-7;/h2-4,7H2,1H3,(H,8,9,10);1H.
What are the key properties of 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride?
3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 56828131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).