N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C15H17ClN4O2 — CID 91906301

IUPACN-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-10-5-6-11(8-12(10)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)
InChIKeyMGOQTJRYIDPRCS-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.98
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 91906301) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID91906301
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl
InChIInChI=1S/C15H17ClN4O2/c1-10-5-6-11(8-12(10)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21)
InChIKeyMGOQTJRYIDPRCS-UHFFFAOYSA-N
XLogP1.98
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 91906301) is N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is MGOQTJRYIDPRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-10-5-6-11(8-12(10)16)17-14(21)9-20-15(22)19-7-3-2-4-13(19)18-20/h5-6,8H,2-4,7,9H2,1H3,(H,17,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 320.78 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 91906301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).