(5-butyl-1-pentyltriazol-4-yl)methanamine

C12H24N4 — CID 82205828

IUPAC(5-butyl-1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1nnc(CN)c1CCCC
InChIInChI=1S/C12H24N4/c1-3-5-7-9-16-12(8-6-4-2)11(10-13)14-15-16/h3-10,13H2,1-2H3
InChIKeyCDGNUOIUILPJJM-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.27
Rot. Bonds8

About (5-butyl-1-pentyltriazol-4-yl)methanamine

(5-butyl-1-pentyltriazol-4-yl)methanamine (PubChem CID 82205828) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is (5-butyl-1-pentyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-butyl-1-pentyltriazol-4-yl)methanamine
PubChem CID82205828
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name(5-butyl-1-pentyltriazol-4-yl)methanamine
SMILESCCCCCn1nnc(CN)c1CCCC
InChIInChI=1S/C12H24N4/c1-3-5-7-9-16-12(8-6-4-2)11(10-13)14-15-16/h3-10,13H2,1-2H3
InChIKeyCDGNUOIUILPJJM-UHFFFAOYSA-N
XLogP2.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.27
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 (5-butyl-1-pentyltriazol-4-yl)methanamine?
The IUPAC name of (5-butyl-1-pentyltriazol-4-yl)methanamine (CID 82205828) is (5-butyl-1-pentyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-butyl-1-pentyltriazol-4-yl)methanamine?
The canonical SMILES for (5-butyl-1-pentyltriazol-4-yl)methanamine is CCCCCn1nnc(CN)c1CCCC.
What is the InChIKey of (5-butyl-1-pentyltriazol-4-yl)methanamine?
The InChIKey is CDGNUOIUILPJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-3-5-7-9-16-12(8-6-4-2)11(10-13)14-15-16/h3-10,13H2,1-2H3.
What are the key properties of (5-butyl-1-pentyltriazol-4-yl)methanamine?
(5-butyl-1-pentyltriazol-4-yl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butyl-1-pentyltriazol-4-yl)methanamine is sourced from PubChem (CID 82205828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).