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

C15H18N4O2 — CID 110876300

IUPACN-(3-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1
InChIInChI=1S/C15H18N4O2/c1-11-5-4-6-12(9-11)16-14(20)10-19-15(21)18-8-3-2-7-13(18)17-19/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,20)
InChIKeyNNZKAOMSSGZMMM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.33
Rot. Bonds3

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

N-(3-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 110876300) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(3-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-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID110876300
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(3-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCc1cccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1
InChIInChI=1S/C15H18N4O2/c1-11-5-4-6-12(9-11)16-14(20)10-19-15(21)18-8-3-2-7-13(18)17-19/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,20)
InChIKeyNNZKAOMSSGZMMM-UHFFFAOYSA-N
XLogP1.33
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-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-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 110876300) is N-(3-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-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-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is Cc1cccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is NNZKAOMSSGZMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11-5-4-6-12(9-11)16-14(20)10-19-15(21)18-8-3-2-7-13(18)17-19/h4-6,9H,2-3,7-8,10H2,1H3,(H,16,20).
What are the key properties of N-(3-methylphenyl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-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 286.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-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 110876300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).