N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C14H10F3N5O2 — CID 707453

IUPACN-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C(=O)c1nc2ncccn2n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2/c1-21(9-3-5-10(6-4-9)24-14(15,16)17)12(23)11-19-13-18-7-2-8-22(13)20-11/h2-8H,1H3
InChIKeyLTYNVMASTHBDFG-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.30
Rot. Bonds3

About N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 707453) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID707453
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC NameN-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(C(=O)c1nc2ncccn2n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H10F3N5O2/c1-21(9-3-5-10(6-4-9)24-14(15,16)17)12(23)11-19-13-18-7-2-8-22(13)20-11/h2-8H,1H3
InChIKeyLTYNVMASTHBDFG-UHFFFAOYSA-N
XLogP2.30
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carbonyl]amino]benzoic acid
CID 126645301
butyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2068816
N-[2-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824647
N-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824639
N-methyl-5-phenyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1046455
N-(6-ethoxy-1,3-benzothiazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315703
methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
CID 821880
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 29258499
5-(4-methoxyphenyl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045750
(5S,7R)-N-methyl-5,7-diphenyl-N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 136858983
N-methyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1261087
N-[(2Z)-4,5-dimethylhexa-2,4-dien-2-yl]-N-methyl-4-(trifluoromethoxy)aniline
CID 145347468

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 707453) is N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CN(C(=O)c1nc2ncccn2n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LTYNVMASTHBDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-21(9-3-5-10(6-4-9)24-14(15,16)17)12(23)11-19-13-18-7-2-8-22(13)20-11/h2-8H,1H3.
What are the key properties of N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 707453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).