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

C16H15F2N5O3 — CID 1093889

IUPAC7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC
InChIInChI=1S/C16H15F2N5O3/c1-8-6-10(13(17)18)23-16(19-8)21-14(22-23)15(24)20-9-4-5-11(25-2)12(7-9)26-3/h4-7,13H,1-3H3,(H,20,24)
InChIKeyDVLIRFZIIUHNIN-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.64
Rot. Bonds5

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

7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1093889) has the molecular formula C16H15F2N5O3 and a molecular weight of 363.32 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1093889
Molecular FormulaC16H15F2N5O3
Molecular Weight363.32 g/mol
Exact Mass363.11
IUPAC Name7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC
InChIInChI=1S/C16H15F2N5O3/c1-8-6-10(13(17)18)23-16(19-8)21-14(22-23)15(24)20-9-4-5-11(25-2)12(7-9)26-3/h4-7,13H,1-3H3,(H,20,24)
InChIKeyDVLIRFZIIUHNIN-UHFFFAOYSA-N
XLogP2.64
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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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
7-(difluoromethyl)-N-(3-methoxyphenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1093987
N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
N-(1,3-Benzodioxol-5-yl)-5-isopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653043
3-(3,4-Dimethoxy-phenyl)-2-(4,6-dimethyl-pyrimidin-2-ylamino)-3,5-dihydro-imidazol-4-one
CID 742639
N-1,3-benzodioxol-5-yl-5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256595
N-1,3-benzodioxol-5-yl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088501
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
2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5307761
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308994
3-(1,3-Benzodioxol-5-yldiazenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-ylamine
CID 7313813

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 1093889) is 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC.
What is the InChIKey of 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DVLIRFZIIUHNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O3/c1-8-6-10(13(17)18)23-16(19-8)21-14(22-23)15(24)20-9-4-5-11(25-2)12(7-9)26-3/h4-7,13H,1-3H3,(H,20,24).
What are the key properties of 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 363.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1093889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).