(1-pentyltriazol-4-yl)methanamine

C8H16N4 — CID 62053618

IUPAC(1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1cc(CN)nn1
InChIInChI=1S/C8H16N4/c1-2-3-4-5-12-7-8(6-9)10-11-12/h7H,2-6,9H2,1H3
InChIKeyWTIOBFACNGPRAX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.93
Rot. Bonds5

About (1-pentyltriazol-4-yl)methanamine

(1-pentyltriazol-4-yl)methanamine (PubChem CID 62053618) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-pentyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-pentyltriazol-4-yl)methanamine
PubChem CID62053618
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1cc(CN)nn1
InChIInChI=1S/C8H16N4/c1-2-3-4-5-12-7-8(6-9)10-11-12/h7H,2-6,9H2,1H3
InChIKeyWTIOBFACNGPRAX-UHFFFAOYSA-N
XLogP0.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (1-pentyltriazol-4-yl)methanamine?
The IUPAC name of (1-pentyltriazol-4-yl)methanamine (CID 62053618) is (1-pentyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-pentyltriazol-4-yl)methanamine?
The canonical SMILES for (1-pentyltriazol-4-yl)methanamine is CCCCCn1cc(CN)nn1.
What is the InChIKey of (1-pentyltriazol-4-yl)methanamine?
The InChIKey is WTIOBFACNGPRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-2-3-4-5-12-7-8(6-9)10-11-12/h7H,2-6,9H2,1H3.
What are the key properties of (1-pentyltriazol-4-yl)methanamine?
(1-pentyltriazol-4-yl)methanamine has a molecular weight of 168.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentyltriazol-4-yl)methanamine is sourced from PubChem (CID 62053618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).