1,4-dibutyltriazole

C10H19N3 — CID 18994978

IUPAC1,4-dibutyltriazole
SMILESCCCCc1cn(CCCC)nn1
InChIInChI=1S/C10H19N3/c1-3-5-7-10-9-13(12-11-10)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyHEFCHGSECOFDKD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.42
Rot. Bonds6

About 1,4-dibutyltriazole

1,4-dibutyltriazole (PubChem CID 18994978) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,4-dibutyltriazole.

Molecular Properties

Compound Name1,4-dibutyltriazole
PubChem CID18994978
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1,4-dibutyltriazole
SMILESCCCCc1cn(CCCC)nn1
InChIInChI=1S/C10H19N3/c1-3-5-7-10-9-13(12-11-10)8-6-4-2/h9H,3-8H2,1-2H3
InChIKeyHEFCHGSECOFDKD-UHFFFAOYSA-N
XLogP2.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dibutyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-Cyclopropyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
CID 151124694
4-pentyl-1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145985152
Ethenyl-[8-[4-(2-methylpropyl)triazol-1-yl]octylimino]-oxidoazanium
CID 149945424
Ethenyl-oxido-[8-(4-propan-2-yltriazol-1-yl)octylimino]azanium
CID 151830008
8-(4-Butyltriazol-1-yl)octylimino-ethenyl-oxidoazanium
CID 152122653
8-[4-(4-Cyanobutyl)triazol-1-yl]octylimino-ethenyl-oxidoazanium
CID 152317462
1-(1-Cyclopropylpropan-2-yl)-4-[4-(2-methylpropyl)triazol-1-yl]piperidine
CID 46985923
2-(4-Pentyltriazol-1-yl)acetamide
CID 70692869
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-pentyltriazole
CID 145979402
1-(3-Methylbut-2-enyl)-4-pentyltriazole
CID 145979958
4-propyl-1-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145980431
4-pentyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 145981409

Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyltriazole?
The IUPAC name of 1,4-dibutyltriazole (CID 18994978) is 1,4-dibutyltriazole.
What is the SMILES notation for 1,4-dibutyltriazole?
The canonical SMILES for 1,4-dibutyltriazole is CCCCc1cn(CCCC)nn1.
What is the InChIKey of 1,4-dibutyltriazole?
The InChIKey is HEFCHGSECOFDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-7-10-9-13(12-11-10)8-6-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 1,4-dibutyltriazole?
1,4-dibutyltriazole has a molecular weight of 181.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyltriazole is sourced from PubChem (CID 18994978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).