2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide

C16H16N6O — CID 166362454

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide
SMILESNCc1cn(CC(=O)Nc2cnccc2-c2ccccc2)nn1
InChIInChI=1S/C16H16N6O/c17-8-13-10-22(21-20-13)11-16(23)19-15-9-18-7-6-14(15)12-4-2-1-3-5-12/h1-7,9-10H,8,11,17H2,(H,19,23)
InChIKeyYUYKZKXWTIUBBN-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.44
Rot. Bonds5

About 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide (PubChem CID 166362454) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide
PubChem CID166362454
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide
SMILESNCc1cn(CC(=O)Nc2cnccc2-c2ccccc2)nn1
InChIInChI=1S/C16H16N6O/c17-8-13-10-22(21-20-13)11-16(23)19-15-9-18-7-6-14(15)12-4-2-1-3-5-12/h1-7,9-10H,8,11,17H2,(H,19,23)
InChIKeyYUYKZKXWTIUBBN-UHFFFAOYSA-N
XLogP1.44
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ML300-based SC inhibitor 24
CID 156027221
ML300-based SC inhibitor 25
CID 156027222
N-(4-phenylphenyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134136275
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134141860
2-(5-Phenyl-4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl)-N-(5-phenylpyridin-2-yl)acetamide
CID 134154594
2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide
CID 155818571
ML300-based SC inhibitor 22
CID 156027219
ML300-based SC inhibitor 23
CID 156027220
(2S)-2-acetamido-N-[(1-benzylpiperidin-4-yl)methyl]-3-(4-phenyltriazol-1-yl)propanamide
CID 155531034
Cambridge id 7111576
CID 2174265
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
N-(2-phenylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide (CID 166362454) is 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide is NCc1cn(CC(=O)Nc2cnccc2-c2ccccc2)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide?
The InChIKey is YUYKZKXWTIUBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-8-13-10-22(21-20-13)11-16(23)19-15-9-18-7-6-14(15)12-4-2-1-3-5-12/h1-7,9-10H,8,11,17H2,(H,19,23).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide has a molecular weight of 308.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(4-phenyl-3-pyridinyl)acetamide is sourced from PubChem (CID 166362454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).