2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide

C9H9F3N6O — CID 119059928

IUPAC2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[nH]1
InChIInChI=1S/C9H9F3N6O/c1-4-13-2-5(15-4)7(19)14-3-6-16-8(18-17-6)9(10,11)12/h2H,3H2,1H3,(H,13,15)(H,14,19)(H,16,17,18)
InChIKeyHCGDPSVQJXAHSP-UHFFFAOYSA-N
MW274.21 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide

2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 119059928) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID119059928
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[nH]1
InChIInChI=1S/C9H9F3N6O/c1-4-13-2-5(15-4)7(19)14-3-6-16-8(18-17-6)9(10,11)12/h2H,3H2,1H3,(H,13,15)(H,14,19)(H,16,17,18)
InChIKeyHCGDPSVQJXAHSP-UHFFFAOYSA-N
XLogP0.79
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 72123319
1H-imidazol-5-yl-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 72123549
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
[3-[(dimethylamino)methyl]-5,6,7,9-tetrahydro-[1,2,4]triazolo[4,3-a][1,4]diazepin-8-yl]-(1H-imidazol-5-yl)methanone
CID 97405572
N-[(E)-1H-imidazol-2-ylmethyleneamino]pyrazine-2-carboxamide
CID 136224392
5-methyl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine-2-carboxamide
CID 43051678
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-1H-imidazole-5-carboxamide
CID 91781150
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
N-[(2S)-3,3-difluorobutan-2-yl]-2-methyl-1H-imidazole-5-carboxamide
CID 129348643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide (CID 119059928) is 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCc2nc(C(F)(F)F)n[nH]2)[nH]1.
What is the InChIKey of 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is HCGDPSVQJXAHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c1-4-13-2-5(15-4)7(19)14-3-6-16-8(18-17-6)9(10,11)12/h2H,3H2,1H3,(H,13,15)(H,14,19)(H,16,17,18).
What are the key properties of 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide?
2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 274.21 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 119059928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).