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

C8H15N3 — CID 58336955

IUPAC1-ethyl-5-methyl-4-propan-2-yltriazole
SMILESCCn1nnc(C(C)C)c1C
InChIInChI=1S/C8H15N3/c1-5-11-7(4)8(6(2)3)9-10-11/h6H,5H2,1-4H3
InChIKeyCQSAZWNIXFPCTP-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.73
Rot. Bonds2

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

1-ethyl-5-methyl-4-propan-2-yltriazole (PubChem CID 58336955) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-ethyl-5-methyl-4-propan-2-yltriazole.

Molecular Properties

Compound Name1-ethyl-5-methyl-4-propan-2-yltriazole
PubChem CID58336955
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-ethyl-5-methyl-4-propan-2-yltriazole
SMILESCCn1nnc(C(C)C)c1C
InChIInChI=1S/C8H15N3/c1-5-11-7(4)8(6(2)3)9-10-11/h6H,5H2,1-4H3
InChIKeyCQSAZWNIXFPCTP-UHFFFAOYSA-N
XLogP1.73
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-methyl-4-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 1-ethyl-5-methyl-4-propan-2-yltriazole?
The IUPAC name of 1-ethyl-5-methyl-4-propan-2-yltriazole (CID 58336955) is 1-ethyl-5-methyl-4-propan-2-yltriazole.
What is the SMILES notation for 1-ethyl-5-methyl-4-propan-2-yltriazole?
The canonical SMILES for 1-ethyl-5-methyl-4-propan-2-yltriazole is CCn1nnc(C(C)C)c1C.
What is the InChIKey of 1-ethyl-5-methyl-4-propan-2-yltriazole?
The InChIKey is CQSAZWNIXFPCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-11-7(4)8(6(2)3)9-10-11/h6H,5H2,1-4H3.
What are the key properties of 1-ethyl-5-methyl-4-propan-2-yltriazole?
1-ethyl-5-methyl-4-propan-2-yltriazole has a molecular weight of 153.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-4-propan-2-yltriazole is sourced from PubChem (CID 58336955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).