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

C9H9F3N6O — CID 171679214

IUPAC1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H9F3N6O/c1-17-4-3-13-5(17)6(19)14-8-15-7(9(10,11)12)16-18(8)2/h3-4H,1-2H3,(H,14,15,16,19)
InChIKeyPVIIEMKSUBQYRS-UHFFFAOYSA-N
MW274.21 g/mol
LogP0.82
Rot. Bonds2

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

1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide (PubChem CID 171679214) has the molecular formula C9H9F3N6O and a molecular weight of 274.21 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide
PubChem CID171679214
Molecular FormulaC9H9F3N6O
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide
SMILESCn1ccnc1C(=O)Nc1nc(C(F)(F)F)nn1C
InChIInChI=1S/C9H9F3N6O/c1-17-4-3-13-5(17)6(19)14-8-15-7(9(10,11)12)16-18(8)2/h3-4H,1-2H3,(H,14,15,16,19)
InChIKeyPVIIEMKSUBQYRS-UHFFFAOYSA-N
XLogP0.82
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide (CID 171679214) is 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide is Cn1ccnc1C(=O)Nc1nc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide?
The InChIKey is PVIIEMKSUBQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6O/c1-17-4-3-13-5(17)6(19)14-8-15-7(9(10,11)12)16-18(8)2/h3-4H,1-2H3,(H,14,15,16,19).
What are the key properties of 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide?
1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide has a molecular weight of 274.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-2-carboxamide is sourced from PubChem (CID 171679214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).