N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide

C16H13F2N5O — CID 162467395

IUPACN-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(F)c(F)c3)n2n1
InChIInChI=1S/C16H13F2N5O/c1-8-19-14-7-13(21-16(24)9-2-3-9)20-15(23(14)22-8)10-4-5-11(17)12(18)6-10/h4-7,9H,2-3H2,1H3,(H,21,24)
InChIKeyVDJYEGDCFAFWTC-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.73
Rot. Bonds3

About N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide

N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 162467395) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID162467395
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC NameN-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(F)c(F)c3)n2n1
InChIInChI=1S/C16H13F2N5O/c1-8-19-14-7-13(21-16(24)9-2-3-9)20-15(23(14)22-8)10-4-5-11(17)12(18)6-10/h4-7,9H,2-3H2,1H3,(H,21,24)
InChIKeyVDJYEGDCFAFWTC-UHFFFAOYSA-N
XLogP2.73
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (CID 162467395) is N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is Cc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(F)c(F)c3)n2n1.
What is the InChIKey of N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is VDJYEGDCFAFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-8-19-14-7-13(21-16(24)9-2-3-9)20-15(23(14)22-8)10-4-5-11(17)12(18)6-10/h4-7,9H,2-3H2,1H3,(H,21,24).
What are the key properties of N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162467395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).