(5-propyl-2H-triazol-4-yl)methanamine

C6H12N4 — CID 82502459

IUPAC(5-propyl-2H-triazol-4-yl)methanamine
SMILESCCCc1n[nH]nc1CN
InChIInChI=1S/C6H12N4/c1-2-3-5-6(4-7)9-10-8-5/h2-4,7H2,1H3,(H,8,9,10)
InChIKeyHWTRPNOCHVIHQV-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.22
Rot. Bonds3

About (5-propyl-2H-triazol-4-yl)methanamine

(5-propyl-2H-triazol-4-yl)methanamine (PubChem CID 82502459) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is (5-propyl-2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-propyl-2H-triazol-4-yl)methanamine
PubChem CID82502459
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name(5-propyl-2H-triazol-4-yl)methanamine
SMILESCCCc1n[nH]nc1CN
InChIInChI=1S/C6H12N4/c1-2-3-5-6(4-7)9-10-8-5/h2-4,7H2,1H3,(H,8,9,10)
InChIKeyHWTRPNOCHVIHQV-UHFFFAOYSA-N
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-propyl-2H-triazol-4-yl)methanamine?
The IUPAC name of (5-propyl-2H-triazol-4-yl)methanamine (CID 82502459) is (5-propyl-2H-triazol-4-yl)methanamine.
What is the SMILES notation for (5-propyl-2H-triazol-4-yl)methanamine?
The canonical SMILES for (5-propyl-2H-triazol-4-yl)methanamine is CCCc1n[nH]nc1CN.
What is the InChIKey of (5-propyl-2H-triazol-4-yl)methanamine?
The InChIKey is HWTRPNOCHVIHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-2-3-5-6(4-7)9-10-8-5/h2-4,7H2,1H3,(H,8,9,10).
What are the key properties of (5-propyl-2H-triazol-4-yl)methanamine?
(5-propyl-2H-triazol-4-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-2H-triazol-4-yl)methanamine is sourced from PubChem (CID 82502459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).