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

C6H10ClN3 — CID 69382086

IUPAC4-chloro-5-methyl-1-propan-2-yltriazole
SMILESCc1c(Cl)nnn1C(C)C
InChIInChI=1S/C6H10ClN3/c1-4(2)10-5(3)6(7)8-9-10/h4H,1-3H3
InChIKeyGJANVVCMQAQKLK-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.82
Rot. Bonds1

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

4-chloro-5-methyl-1-propan-2-yltriazole (PubChem CID 69382086) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4-chloro-5-methyl-1-propan-2-yltriazole.

Molecular Properties

Compound Name4-chloro-5-methyl-1-propan-2-yltriazole
PubChem CID69382086
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4-chloro-5-methyl-1-propan-2-yltriazole
SMILESCc1c(Cl)nnn1C(C)C
InChIInChI=1S/C6H10ClN3/c1-4(2)10-5(3)6(7)8-9-10/h4H,1-3H3
InChIKeyGJANVVCMQAQKLK-UHFFFAOYSA-N
XLogP1.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-methyl-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 4-chloro-5-methyl-1-propan-2-yltriazole?
The IUPAC name of 4-chloro-5-methyl-1-propan-2-yltriazole (CID 69382086) is 4-chloro-5-methyl-1-propan-2-yltriazole.
What is the SMILES notation for 4-chloro-5-methyl-1-propan-2-yltriazole?
The canonical SMILES for 4-chloro-5-methyl-1-propan-2-yltriazole is Cc1c(Cl)nnn1C(C)C.
What is the InChIKey of 4-chloro-5-methyl-1-propan-2-yltriazole?
The InChIKey is GJANVVCMQAQKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-4(2)10-5(3)6(7)8-9-10/h4H,1-3H3.
What are the key properties of 4-chloro-5-methyl-1-propan-2-yltriazole?
4-chloro-5-methyl-1-propan-2-yltriazole has a molecular weight of 159.62 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1-propan-2-yltriazole is sourced from PubChem (CID 69382086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).