1,3-dipentyl-2H-triazole

C12H25N3 — CID 67465157

IUPAC1,3-dipentyl-2H-triazole
SMILESCCCCCN1C=CN(CCCCC)N1
InChIInChI=1S/C12H25N3/c1-3-5-7-9-14-11-12-15(13-14)10-8-6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyOCLBFOXURKHALU-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.88
Rot. Bonds8

About 1,3-dipentyl-2H-triazole

1,3-dipentyl-2H-triazole (PubChem CID 67465157) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,3-dipentyl-2H-triazole.

Molecular Properties

Compound Name1,3-dipentyl-2H-triazole
PubChem CID67465157
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1,3-dipentyl-2H-triazole
SMILESCCCCCN1C=CN(CCCCC)N1
InChIInChI=1S/C12H25N3/c1-3-5-7-9-14-11-12-15(13-14)10-8-6-4-2/h11-13H,3-10H2,1-2H3
InChIKeyOCLBFOXURKHALU-UHFFFAOYSA-N
XLogP2.88
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-octadecyl-2H-triazine
CID 139947935
azane;2,5-dipentyl-1,5-dihydropyrazole
CID 174530275
1-hexadecyl-2,3-dihydrotetrazole
CID 138558411
5-bromo-2-heptyl-1H-pyridazine
CID 22412760
1-hexadecyl-3-octadecyl-2H-imidazole
CID 68970156
1-pentadecyl-3-tridecyl-2H-imidazole
CID 69396629
1-heptyl-3-nonyl-2H-imidazole
CID 69393199
1-nonyl-3-undecyl-2H-imidazole
CID 69391482
1-dodecyl-3-octadecyl-2H-imidazole
CID 68899578
1-octyl-3-undecyl-2H-imidazole
CID 69389433
1-hexyl-3-nonadecyl-2H-imidazole
CID 69396204
1-hexylazepine
CID 174889466

Frequently Asked Questions

What is the IUPAC name of 1,3-dipentyl-2H-triazole?
The IUPAC name of 1,3-dipentyl-2H-triazole (CID 67465157) is 1,3-dipentyl-2H-triazole.
What is the SMILES notation for 1,3-dipentyl-2H-triazole?
The canonical SMILES for 1,3-dipentyl-2H-triazole is CCCCCN1C=CN(CCCCC)N1.
What is the InChIKey of 1,3-dipentyl-2H-triazole?
The InChIKey is OCLBFOXURKHALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-5-7-9-14-11-12-15(13-14)10-8-6-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 1,3-dipentyl-2H-triazole?
1,3-dipentyl-2H-triazole has a molecular weight of 211.35 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipentyl-2H-triazole is sourced from PubChem (CID 67465157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).