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

C14H12FN5O — CID 162467361

IUPACN-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C)nn2c(-c2cccc(F)c2)n1
InChIInChI=1S/C14H12FN5O/c1-8-16-13-7-12(17-9(2)21)18-14(20(13)19-8)10-4-3-5-11(15)6-10/h3-7H,1-2H3,(H,17,21)
InChIKeyZWASNRPWHWKDNM-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.20
Rot. Bonds2

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

N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide (PubChem CID 162467361) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
PubChem CID162467361
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC NameN-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
SMILESCC(=O)Nc1cc2nc(C)nn2c(-c2cccc(F)c2)n1
InChIInChI=1S/C14H12FN5O/c1-8-16-13-7-12(17-9(2)21)18-14(20(13)19-8)10-4-3-5-11(15)6-10/h3-7H,1-2H3,(H,17,21)
InChIKeyZWASNRPWHWKDNM-UHFFFAOYSA-N
XLogP2.20
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.20
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]acetamide?
The IUPAC name of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide (CID 162467361) is N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide is CC(=O)Nc1cc2nc(C)nn2c(-c2cccc(F)c2)n1.
What is the InChIKey of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
The InChIKey is ZWASNRPWHWKDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-8-16-13-7-12(17-9(2)21)18-14(20(13)19-8)10-4-3-5-11(15)6-10/h3-7H,1-2H3,(H,17,21).
What are the key properties of N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide?
N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide has a molecular weight of 285.28 g/mol, XLogP of 2.20, 2 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]acetamide is sourced from PubChem (CID 162467361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).