5-pentadecyl-1H-1,2,4-triazol-3-amine

C17H34N4 — CID 6421777

IUPAC5-pentadecyl-1H-1,2,4-triazol-3-amine
SMILESCCCCCCCCCCCCCCCc1nc(N)n[nH]1
InChIInChI=1S/C17H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)21-20-16/h2-15H2,1H3,(H3,18,19,20,21)
InChIKeyCYWQCHCXTRIKDD-UHFFFAOYSA-N
MW294.49 g/mol
LogP5.02
Rot. Bonds14

About 5-pentadecyl-1H-1,2,4-triazol-3-amine

5-pentadecyl-1H-1,2,4-triazol-3-amine (PubChem CID 6421777) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 5-pentadecyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-pentadecyl-1H-1,2,4-triazol-3-amine
PubChem CID6421777
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name5-pentadecyl-1H-1,2,4-triazol-3-amine
SMILESCCCCCCCCCCCCCCCc1nc(N)n[nH]1
InChIInChI=1S/C17H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)21-20-16/h2-15H2,1H3,(H3,18,19,20,21)
InChIKeyCYWQCHCXTRIKDD-UHFFFAOYSA-N
XLogP5.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pentadecyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-pentadecyl-1H-1,2,4-triazol-3-amine (CID 6421777) is 5-pentadecyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-pentadecyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-pentadecyl-1H-1,2,4-triazol-3-amine is CCCCCCCCCCCCCCCc1nc(N)n[nH]1.
What is the InChIKey of 5-pentadecyl-1H-1,2,4-triazol-3-amine?
The InChIKey is CYWQCHCXTRIKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17(18)21-20-16/h2-15H2,1H3,(H3,18,19,20,21).
What are the key properties of 5-pentadecyl-1H-1,2,4-triazol-3-amine?
5-pentadecyl-1H-1,2,4-triazol-3-amine has a molecular weight of 294.49 g/mol, XLogP of 5.02, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentadecyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 6421777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).