5-butyl-4-ethyl-1-propan-2-yltriazole

C11H21N3 — CID 69382320

IUPAC5-butyl-4-ethyl-1-propan-2-yltriazole
SMILESCCCCc1c(CC)nnn1C(C)C
InChIInChI=1S/C11H21N3/c1-5-7-8-11-10(6-2)12-13-14(11)9(3)4/h9H,5-8H2,1-4H3
InChIKeyQAQMOYMEBFGDIF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.76
Rot. Bonds5

About 5-butyl-4-ethyl-1-propan-2-yltriazole

5-butyl-4-ethyl-1-propan-2-yltriazole (PubChem CID 69382320) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-butyl-4-ethyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name5-butyl-4-ethyl-1-propan-2-yltriazole
PubChem CID69382320
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name5-butyl-4-ethyl-1-propan-2-yltriazole
SMILESCCCCc1c(CC)nnn1C(C)C
InChIInChI=1S/C11H21N3/c1-5-7-8-11-10(6-2)12-13-14(11)9(3)4/h9H,5-8H2,1-4H3
InChIKeyQAQMOYMEBFGDIF-UHFFFAOYSA-N
XLogP2.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-butyl-4-ethyl-1-propan-2-yltriazole 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 5-butyl-4-ethyl-1-propan-2-yltriazole?
The IUPAC name of 5-butyl-4-ethyl-1-propan-2-yltriazole (CID 69382320) is 5-butyl-4-ethyl-1-propan-2-yltriazole.
What is the SMILES notation for 5-butyl-4-ethyl-1-propan-2-yltriazole?
The canonical SMILES for 5-butyl-4-ethyl-1-propan-2-yltriazole is CCCCc1c(CC)nnn1C(C)C.
What is the InChIKey of 5-butyl-4-ethyl-1-propan-2-yltriazole?
The InChIKey is QAQMOYMEBFGDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-7-8-11-10(6-2)12-13-14(11)9(3)4/h9H,5-8H2,1-4H3.
What are the key properties of 5-butyl-4-ethyl-1-propan-2-yltriazole?
5-butyl-4-ethyl-1-propan-2-yltriazole has a molecular weight of 195.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-1-propan-2-yltriazole is sourced from PubChem (CID 69382320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).