3-(2-methyltriazol-4-yl)propan-1-amine

C6H12N4 — CID 119032119

IUPAC3-(2-methyltriazol-4-yl)propan-1-amine
SMILESCn1ncc(CCCN)n1
InChIInChI=1S/C6H12N4/c1-10-8-5-6(9-10)3-2-4-7/h5H,2-4,7H2,1H3
InChIKeyBUEANCSGTDXMMH-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.29
Rot. Bonds3

About 3-(2-methyltriazol-4-yl)propan-1-amine

3-(2-methyltriazol-4-yl)propan-1-amine (PubChem CID 119032119) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(2-methyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methyltriazol-4-yl)propan-1-amine
PubChem CID119032119
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-(2-methyltriazol-4-yl)propan-1-amine
SMILESCn1ncc(CCCN)n1
InChIInChI=1S/C6H12N4/c1-10-8-5-6(9-10)3-2-4-7/h5H,2-4,7H2,1H3
InChIKeyBUEANCSGTDXMMH-UHFFFAOYSA-N
XLogP-0.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyltriazol-4-yl)propan-1-amine?
The IUPAC name of 3-(2-methyltriazol-4-yl)propan-1-amine (CID 119032119) is 3-(2-methyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2-methyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(2-methyltriazol-4-yl)propan-1-amine is Cn1ncc(CCCN)n1.
What is the InChIKey of 3-(2-methyltriazol-4-yl)propan-1-amine?
The InChIKey is BUEANCSGTDXMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-10-8-5-6(9-10)3-2-4-7/h5H,2-4,7H2,1H3.
What are the key properties of 3-(2-methyltriazol-4-yl)propan-1-amine?
3-(2-methyltriazol-4-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 119032119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).