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

C6H12N4 — CID 84648535

IUPAC3-(5-methyl-2H-triazol-4-yl)propan-1-amine
SMILESCc1n[nH]nc1CCCN
InChIInChI=1S/C6H12N4/c1-5-6(3-2-4-7)9-10-8-5/h2-4,7H2,1H3,(H,8,9,10)
InChIKeySGBUUHYQJQZIEF-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.00
Rot. Bonds3

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

3-(5-methyl-2H-triazol-4-yl)propan-1-amine (PubChem CID 84648535) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(5-methyl-2H-triazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-2H-triazol-4-yl)propan-1-amine
PubChem CID84648535
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-(5-methyl-2H-triazol-4-yl)propan-1-amine
SMILESCc1n[nH]nc1CCCN
InChIInChI=1S/C6H12N4/c1-5-6(3-2-4-7)9-10-8-5/h2-4,7H2,1H3,(H,8,9,10)
InChIKeySGBUUHYQJQZIEF-UHFFFAOYSA-N
XLogP0.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine?
The IUPAC name of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine (CID 84648535) is 3-(5-methyl-2H-triazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-2H-triazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-2H-triazol-4-yl)propan-1-amine is Cc1n[nH]nc1CCCN.
What is the InChIKey of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine?
The InChIKey is SGBUUHYQJQZIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-5-6(3-2-4-7)9-10-8-5/h2-4,7H2,1H3,(H,8,9,10).
What are the key properties of 3-(5-methyl-2H-triazol-4-yl)propan-1-amine?
3-(5-methyl-2H-triazol-4-yl)propan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2H-triazol-4-yl)propan-1-amine is sourced from PubChem (CID 84648535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).