3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole

C9H11F2N5 — CID 166698057

IUPAC3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(-c2c(C)ncn2CC(F)F)n[nH]1
InChIInChI=1S/C9H11F2N5/c1-5-8(9-13-6(2)14-15-9)16(4-12-5)3-7(10)11/h4,7H,3H2,1-2H3,(H,13,14,15)
InChIKeyRMFZVVKQKKSPJT-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.55
Rot. Bonds3

About 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole

3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole (PubChem CID 166698057) has the molecular formula C9H11F2N5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
PubChem CID166698057
Molecular FormulaC9H11F2N5
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole
SMILESCc1nc(-c2c(C)ncn2CC(F)F)n[nH]1
InChIInChI=1S/C9H11F2N5/c1-5-8(9-13-6(2)14-15-9)16(4-12-5)3-7(10)11/h4,7H,3H2,1-2H3,(H,13,14,15)
InChIKeyRMFZVVKQKKSPJT-UHFFFAOYSA-N
XLogP1.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-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

3-(3-pentylimidazol-4-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 91393180
2-[2-(difluoromethyl)-1H-triazet-4-yl]-3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 118614449
N-pentyl-5-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]-1H-imidazol-4-amine
CID 135984694
1-(2H-tetrazol-5-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
CID 141322298
3-(1,5-dimethylimidazol-2-yl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 142348054
3-(difluoromethyl)-2-(2-methyl-1,2,4-triazol-3-yl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazole
CID 144979396
1-Methyl-4-(1H-1,2,4-triazol-5-yl)-1H-imidazol-5-amine
CID 71364813
3-methyl-5-(5-methyl-2H-triazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131928305
3-methyl-5-(4-methyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 136237787
1-methyl-4-[[5-(5-methyl-1H-imidazol-4-yl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
CID 136276433
2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155497986
N-methyl-1-(4-methyl-1H-imidazol-5-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 50978613

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
The IUPAC name of 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole (CID 166698057) is 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole.
What is the SMILES notation for 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
The canonical SMILES for 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole is Cc1nc(-c2c(C)ncn2CC(F)F)n[nH]1.
What is the InChIKey of 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
The InChIKey is RMFZVVKQKKSPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N5/c1-5-8(9-13-6(2)14-15-9)16(4-12-5)3-7(10)11/h4,7H,3H2,1-2H3,(H,13,14,15).
What are the key properties of 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole?
3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole has a molecular weight of 227.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,2-difluoroethyl)-5-methylimidazol-4-yl]-5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 166698057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).