2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide

C16H15N5O — CID 146124225

IUPAC2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)nnn1-c1ccccc1
InChIInChI=1S/C16H15N5O/c1-12-15(11-16(22)18-13-7-9-17-10-8-13)19-20-21(12)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18,22)
InChIKeyUPAIXPZWJGKZMI-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide

2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide (PubChem CID 146124225) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
PubChem CID146124225
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide
SMILESCc1c(CC(=O)Nc2ccncc2)nnn1-c1ccccc1
InChIInChI=1S/C16H15N5O/c1-12-15(11-16(22)18-13-7-9-17-10-8-13)19-20-21(12)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18,22)
InChIKeyUPAIXPZWJGKZMI-UHFFFAOYSA-N
XLogP2.15
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]propanoic acid
CID 119187686
N-[3-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119432306
N-(3-aminobutyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide
CID 119497704
N-(3-aminopropyl)-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119407316
N-[2-(methylamino)propyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 120831900
2-methyl-2-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]pentanoic acid
CID 119192183
2-(5-methyl-1-phenyltriazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512728
cis-(1S,3R)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676507
cis-(1R,3S)-3-[[2-(5-methyl-1-phenyltriazol-4-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678634
N-[4-(furan-3-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313469
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313454
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
CID 119567001

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide?
The IUPAC name of 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide (CID 146124225) is 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide is Cc1c(CC(=O)Nc2ccncc2)nnn1-c1ccccc1.
What is the InChIKey of 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide?
The InChIKey is UPAIXPZWJGKZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-15(11-16(22)18-13-7-9-17-10-8-13)19-20-21(12)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,18,22).
What are the key properties of 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide?
2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide has a molecular weight of 293.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-phenyltriazol-4-yl)-N-pyridin-4-ylacetamide is sourced from PubChem (CID 146124225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).