N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C16H15F2N5O — CID 72848065

IUPACN-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2c(F)cccc2F)nc2ncnn12
InChIInChI=1S/C16H15F2N5O/c1-9(2)14-6-13(22-16-20-8-21-23(14)16)15(24)19-7-10-11(17)4-3-5-12(10)18/h3-6,8-9H,7H2,1-2H3,(H,19,24)
InChIKeyXLCHTCIEUNAXFZ-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.46
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 72848065) has the molecular formula C16H15F2N5O and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID72848065
Molecular FormulaC16H15F2N5O
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2c(F)cccc2F)nc2ncnn12
InChIInChI=1S/C16H15F2N5O/c1-9(2)14-6-13(22-16-20-8-21-23(14)16)15(24)19-7-10-11(17)4-3-5-12(10)18/h3-6,8-9H,7H2,1-2H3,(H,19,24)
InChIKeyXLCHTCIEUNAXFZ-UHFFFAOYSA-N
XLogP2.46
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77082076
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77098232
N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72860317
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77080556
N-[2-(4-methylpiperidin-1-yl)propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46970474
7-N-benzyl-5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59463006
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72873815
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46996822
N-[1-(3-methyl-2-pyridinyl)propan-2-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56868831
1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
N-[(1S,2R)-2-aminocyclobutyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56906980
5-N-[(4-fluoro-3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 59462500

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 72848065) is N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NCc2c(F)cccc2F)nc2ncnn12.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is XLCHTCIEUNAXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O/c1-9(2)14-6-13(22-16-20-8-21-23(14)16)15(24)19-7-10-11(17)4-3-5-12(10)18/h3-6,8-9H,7H2,1-2H3,(H,19,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 72848065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).