1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole

C11H19N5 — CID 160689169

IUPAC1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole
SMILESCc1cn(C)c(C)n1.Cc1nc(C)n(C)n1
InChIInChI=1S/C6H10N2.C5H9N3/c1-5-4-8(3)6(2)7-5;1-4-6-5(2)8(3)7-4/h4H,1-3H3;1-3H3
InChIKeyRPEKLVXMYZKLBF-UHFFFAOYSA-N
MW221.31 g/mol
LogP1.47
Rot. Bonds

About 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole

1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole (PubChem CID 160689169) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole.

Molecular Properties

Compound Name1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole
PubChem CID160689169
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole
SMILESCc1cn(C)c(C)n1.Cc1nc(C)n(C)n1
InChIInChI=1S/C6H10N2.C5H9N3/c1-5-4-8(3)6(2)7-5;1-4-6-5(2)8(3)7-4/h4H,1-3H3;1-3H3
InChIKeyRPEKLVXMYZKLBF-UHFFFAOYSA-N
XLogP1.47
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,4-trimethylimidazole;1,3,5-trimethyl-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

Related Compounds

{5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-diethyl-amine
CID 72705286
5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,N,1-trimethyl-1,2,4-triazol-3-amine
CID 72704323
{5-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-ethyl]-1-methyl-1H-[1,2,4]triazol-3-yl}-ethyl-methyl-amine
CID 90017228
2-Methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]pyrazine
CID 165415336
3-Methyl-2-(1-methylimidazol-2-yl)imidazole-4-carbonitrile
CID 44339833
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928249
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-amine
CID 71928525
2,4-Dimethyl-1-propylimidazole
CID 25232206
1-Butyl-2,4-dimethylimidazole
CID 69009415
3,6-Bis(4-methylimidazol-1-yl)-1,2,4,5-tetrazine
CID 86101896
(ZINC dimethylimidazolate
CID 153463161
N-methyl-1-(1-methylimidazol-2-yl)-N-[(1-propyltetrazol-5-yl)methyl]methanamine
CID 71943990

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole?
The IUPAC name of 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole (CID 160689169) is 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole.
What is the SMILES notation for 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole?
The canonical SMILES for 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole is Cc1cn(C)c(C)n1.Cc1nc(C)n(C)n1.
What is the InChIKey of 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole?
The InChIKey is RPEKLVXMYZKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H9N3/c1-5-4-8(3)6(2)7-5;1-4-6-5(2)8(3)7-4/h4H,1-3H3;1-3H3.
What are the key properties of 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole?
1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole has a molecular weight of 221.31 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethylimidazole;1,3,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 160689169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).