N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide

C14H13N5OS — CID 18191303

IUPACN-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C14H13N5OS/c1-9-7-13(19-14(17-9)15-8-16-19)21-12-5-3-11(4-6-12)18-10(2)20/h3-8H,1-2H3,(H,18,20)
InChIKeyRDMIOFRLDYEYNN-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.54
Rot. Bonds3

About N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide

N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide (PubChem CID 18191303) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide
PubChem CID18191303
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC NameN-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Sc2cc(C)nc3ncnn23)cc1
InChIInChI=1S/C14H13N5OS/c1-9-7-13(19-14(17-9)15-8-16-19)21-12-5-3-11(4-6-12)18-10(2)20/h3-8H,1-2H3,(H,18,20)
InChIKeyRDMIOFRLDYEYNN-UHFFFAOYSA-N
XLogP2.54
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide (CID 18191303) is N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(Sc2cc(C)nc3ncnn23)cc1.
What is the InChIKey of N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide?
The InChIKey is RDMIOFRLDYEYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-7-13(19-14(17-9)15-8-16-19)21-12-5-3-11(4-6-12)18-10(2)20/h3-8H,1-2H3,(H,18,20).
What are the key properties of N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide?
N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide has a molecular weight of 299.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl]acetamide is sourced from PubChem (CID 18191303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).