N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide

C16H15N5O — CID 77083716

IUPACN-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N5O/c22-15(10-13-8-4-5-9-17-13)18-11-14-19-16(21-20-14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,19,20,21)
InChIKeyKTQOBMOFINJEPH-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.73
Rot. Bonds5

About N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide

N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide (PubChem CID 77083716) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
PubChem CID77083716
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C16H15N5O/c22-15(10-13-8-4-5-9-17-13)18-11-14-19-16(21-20-14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,19,20,21)
InChIKeyKTQOBMOFINJEPH-UHFFFAOYSA-N
XLogP1.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyridin-2-ylethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 71694697
N-(1H-imidazol-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 64529840
(3S)-3-phenyl-3-pyridin-2-yl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]propanamide
CID 97283340
N-[[4-(4-methylphenyl)-5-pyridin-2-yl-1H-imidazol-2-yl]methyl]-2-pyridin-2-ylacetamide
CID 56740363
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56827462
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
N-ethyl-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 39850688
1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 146075662
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25153718
N-cyclohexyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168691
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524256
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]acetamide
CID 91760353

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide (CID 77083716) is N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCc1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide?
The InChIKey is KTQOBMOFINJEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-15(10-13-8-4-5-9-17-13)18-11-14-19-16(21-20-14)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,18,22)(H,19,20,21).
What are the key properties of N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide?
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide has a molecular weight of 293.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 77083716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).