1,5-dipentyl-4,5-dihydrotriazole

C12H25N3 — CID 67937097

IUPAC1,5-dipentyl-4,5-dihydrotriazole
SMILESCCCCCC1CN=NN1CCCCC
InChIInChI=1S/C12H25N3/c1-3-5-7-9-12-11-13-14-15(12)10-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeySIQQMJMYDJIBAQ-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.81
Rot. Bonds8

About 1,5-dipentyl-4,5-dihydrotriazole

1,5-dipentyl-4,5-dihydrotriazole (PubChem CID 67937097) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,5-dipentyl-4,5-dihydrotriazole.

Molecular Properties

Compound Name1,5-dipentyl-4,5-dihydrotriazole
PubChem CID67937097
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1,5-dipentyl-4,5-dihydrotriazole
SMILESCCCCCC1CN=NN1CCCCC
InChIInChI=1S/C12H25N3/c1-3-5-7-9-12-11-13-14-15(12)10-8-6-4-2/h12H,3-11H2,1-2H3
InChIKeySIQQMJMYDJIBAQ-UHFFFAOYSA-N
XLogP3.81
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,5-dipentyl-4,5-dihydrotriazole 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

1-(2-ethoxyethyl)-5-pentoxy-4,5-dihydrotriazole
CID 12538939
1-methyl-5-pentylpyrrolidine-2-thione
CID 14765438
2-decylaziridine-1-carboxamide
CID 175486597
1-octyl-4,5-dihydrotriazole
CID 91256370
hexane;pentylcyclopropane
CID 159592467
1-methyl-5-pentyltriazolidine
CID 146594066
1-methyl-2-tetradecylpyrrolidine
CID 24796983
1-(1-methyl-5-pentylpyrrolidin-2-yl)ethanone
CID 143089491
1-methyl-4-nonylazetidin-2-one
CID 70542920
5-butyl-1-propyl-4,5-dihydroimidazole
CID 57079769
3,4-di(tridecyl)morpholine
CID 172742724
1,4-dihexylcyclohexane
CID 22947938

Frequently Asked Questions

What is the IUPAC name of 1,5-dipentyl-4,5-dihydrotriazole?
The IUPAC name of 1,5-dipentyl-4,5-dihydrotriazole (CID 67937097) is 1,5-dipentyl-4,5-dihydrotriazole.
What is the SMILES notation for 1,5-dipentyl-4,5-dihydrotriazole?
The canonical SMILES for 1,5-dipentyl-4,5-dihydrotriazole is CCCCCC1CN=NN1CCCCC.
What is the InChIKey of 1,5-dipentyl-4,5-dihydrotriazole?
The InChIKey is SIQQMJMYDJIBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-5-7-9-12-11-13-14-15(12)10-8-6-4-2/h12H,3-11H2,1-2H3.
What are the key properties of 1,5-dipentyl-4,5-dihydrotriazole?
1,5-dipentyl-4,5-dihydrotriazole has a molecular weight of 211.35 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipentyl-4,5-dihydrotriazole is sourced from PubChem (CID 67937097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).