7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H13F2N5O2 — CID 1093987

IUPAC7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1
InChIInChI=1S/C15H13F2N5O2/c1-8-6-11(12(16)17)22-15(18-8)20-13(21-22)14(23)19-9-4-3-5-10(7-9)24-2/h3-7,12H,1-2H3,(H,19,23)
InChIKeyMFVURNRROCMTOC-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.63
Rot. Bonds4

About 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1093987) has the molecular formula C15H13F2N5O2 and a molecular weight of 333.30 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1093987
Molecular FormulaC15H13F2N5O2
Molecular Weight333.30 g/mol
Exact Mass333.10
IUPAC Name7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1
InChIInChI=1S/C15H13F2N5O2/c1-8-6-11(12(16)17)22-15(18-8)20-13(21-22)14(23)19-9-4-3-5-10(7-9)24-2/h3-7,12H,1-2H3,(H,19,23)
InChIKeyMFVURNRROCMTOC-UHFFFAOYSA-N
XLogP2.63
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71595131
N-(5-chloro-2-methoxyphenyl)-7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093905
7-(difluoromethyl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3245985
N-propyl-3-[3-(trifluoromethoxy)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57391610
N-(3-methoxyphenyl)-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714973
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(3-methoxyphenyl)acetamide
CID 1434102
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
[2-(3,5-Dimethoxyanilino)-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2394104
N-(1,3-benzodioxol-5-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2438361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2458272
[2-(3-Methoxyanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2479652
N-(2,5-dimethoxyphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308295

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1093987) is 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1.
What is the InChIKey of 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MFVURNRROCMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O2/c1-8-6-11(12(16)17)22-15(18-8)20-13(21-22)14(23)19-9-4-3-5-10(7-9)24-2/h3-7,12H,1-2H3,(H,19,23).
What are the key properties of 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 333.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).