1,5-diethyl-4-(2-methylpropyl)triazole

C10H19N3 — CID 69381515

IUPAC1,5-diethyl-4-(2-methylpropyl)triazole
SMILESCCc1c(CC(C)C)nnn1CC
InChIInChI=1S/C10H19N3/c1-5-10-9(7-8(3)4)11-12-13(10)6-2/h8H,5-7H2,1-4H3
InChIKeyOGIKNRDKSKYVSU-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.06
Rot. Bonds4

About 1,5-diethyl-4-(2-methylpropyl)triazole

1,5-diethyl-4-(2-methylpropyl)triazole (PubChem CID 69381515) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,5-diethyl-4-(2-methylpropyl)triazole.

Molecular Properties

Compound Name1,5-diethyl-4-(2-methylpropyl)triazole
PubChem CID69381515
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1,5-diethyl-4-(2-methylpropyl)triazole
SMILESCCc1c(CC(C)C)nnn1CC
InChIInChI=1S/C10H19N3/c1-5-10-9(7-8(3)4)11-12-13(10)6-2/h8H,5-7H2,1-4H3
InChIKeyOGIKNRDKSKYVSU-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-diethyl-4-(2-methylpropyl)triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-4-(2-methylpropyl)triazole?
The IUPAC name of 1,5-diethyl-4-(2-methylpropyl)triazole (CID 69381515) is 1,5-diethyl-4-(2-methylpropyl)triazole.
What is the SMILES notation for 1,5-diethyl-4-(2-methylpropyl)triazole?
The canonical SMILES for 1,5-diethyl-4-(2-methylpropyl)triazole is CCc1c(CC(C)C)nnn1CC.
What is the InChIKey of 1,5-diethyl-4-(2-methylpropyl)triazole?
The InChIKey is OGIKNRDKSKYVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-5-10-9(7-8(3)4)11-12-13(10)6-2/h8H,5-7H2,1-4H3.
What are the key properties of 1,5-diethyl-4-(2-methylpropyl)triazole?
1,5-diethyl-4-(2-methylpropyl)triazole has a molecular weight of 181.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-4-(2-methylpropyl)triazole is sourced from PubChem (CID 69381515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).