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

C16H14FN5O — CID 162467353

IUPACN-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C16H14FN5O/c1-9-18-14-8-13(20-16(23)10-5-6-10)19-15(22(14)21-9)11-3-2-4-12(17)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,20,23)
InChIKeyMVKGMDXGBIBCCR-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.59
Rot. Bonds3

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

N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 162467353) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID162467353
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC NameN-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3cccc(F)c3)n2n1
InChIInChI=1S/C16H14FN5O/c1-9-18-14-8-13(20-16(23)10-5-6-10)19-15(22(14)21-9)11-3-2-4-12(17)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,20,23)
InChIKeyMVKGMDXGBIBCCR-UHFFFAOYSA-N
XLogP2.59
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (CID 162467353) is N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is Cc1nc2cc(NC(=O)C3CC3)nc(-c3cccc(F)c3)n2n1.
What is the InChIKey of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is MVKGMDXGBIBCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c1-9-18-14-8-13(20-16(23)10-5-6-10)19-15(22(14)21-9)11-3-2-4-12(17)7-11/h2-4,7-8,10H,5-6H2,1H3,(H,20,23).
What are the key properties of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162467353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).