6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole

C8H12N4 — CID 89226887

IUPAC6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole
SMILESCc1nc2[nH]ncn2c1C(C)C
InChIInChI=1S/C8H12N4/c1-5(2)7-6(3)10-8-11-9-4-12(7)8/h4-5H,1-3H3,(H,10,11)
InChIKeyWZSZELBFTPSVSA-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.49
Rot. Bonds1

About 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole

6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole (PubChem CID 89226887) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole
PubChem CID89226887
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole
SMILESCc1nc2[nH]ncn2c1C(C)C
InChIInChI=1S/C8H12N4/c1-5(2)7-6(3)10-8-11-9-4-12(7)8/h4-5H,1-3H3,(H,10,11)
InChIKeyWZSZELBFTPSVSA-UHFFFAOYSA-N
XLogP1.49
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]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 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole (CID 89226887) is 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole is Cc1nc2[nH]ncn2c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole?
The InChIKey is WZSZELBFTPSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-5(2)7-6(3)10-8-11-9-4-12(7)8/h4-5H,1-3H3,(H,10,11).
What are the key properties of 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole?
6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole has a molecular weight of 164.21 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-1H-imidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 89226887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).