3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C14H19N5O2 — CID 51087375

IUPAC3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)COCCC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C14H19N5O2/c1-10(2)9-21-8-6-12(20)16-14-17-13(18-19-14)11-5-3-4-7-15-11/h3-5,7,10H,6,8-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyAEEPZLGPNGLJSE-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.87
Rot. Bonds7

About 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 51087375) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID51087375
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCC(C)COCCC(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C14H19N5O2/c1-10(2)9-21-8-6-12(20)16-14-17-13(18-19-14)11-5-3-4-7-15-11/h3-5,7,10H,6,8-9H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyAEEPZLGPNGLJSE-UHFFFAOYSA-N
XLogP1.87
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
2-(4-methylphenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992055
N-[4-oxo-4-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]butan-2-yl]benzamide
CID 86992038
2-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pentanamide
CID 154748583
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 51092030
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057837
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55843523
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
2-(4-chlorophenyl)sulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 86992034

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 51087375) is 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is CC(C)COCCC(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is AEEPZLGPNGLJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)9-21-8-6-12(20)16-14-17-13(18-19-14)11-5-3-4-7-15-11/h3-5,7,10H,6,8-9H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 289.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 51087375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).