4-pentyl-1-propyltriazole

C10H19N3 — CID 69281397

IUPAC4-pentyl-1-propyltriazole
SMILESCCCCCc1cn(CCC)nn1
InChIInChI=1S/C10H19N3/c1-3-5-6-7-10-9-13(8-4-2)12-11-10/h9H,3-8H2,1-2H3
InChIKeySYMCPZLUKGAJJU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.42
Rot. Bonds6

About 4-pentyl-1-propyltriazole

4-pentyl-1-propyltriazole (PubChem CID 69281397) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-pentyl-1-propyltriazole.

Molecular Properties

Compound Name4-pentyl-1-propyltriazole
PubChem CID69281397
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-pentyl-1-propyltriazole
SMILESCCCCCc1cn(CCC)nn1
InChIInChI=1S/C10H19N3/c1-3-5-6-7-10-9-13(8-4-2)12-11-10/h9H,3-8H2,1-2H3
InChIKeySYMCPZLUKGAJJU-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

Computed Properties (RDKit)

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

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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
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
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-pentyltriazole
CID 145981933

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-1-propyltriazole?
The IUPAC name of 4-pentyl-1-propyltriazole (CID 69281397) is 4-pentyl-1-propyltriazole.
What is the SMILES notation for 4-pentyl-1-propyltriazole?
The canonical SMILES for 4-pentyl-1-propyltriazole is CCCCCc1cn(CCC)nn1.
What is the InChIKey of 4-pentyl-1-propyltriazole?
The InChIKey is SYMCPZLUKGAJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-5-6-7-10-9-13(8-4-2)12-11-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-pentyl-1-propyltriazole?
4-pentyl-1-propyltriazole 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 4-pentyl-1-propyltriazole is sourced from PubChem (CID 69281397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).