1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea

C16H17N5O3 — CID 47076648

IUPAC1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCn2nc3ccccn3c2=O)c1
InChIInChI=1S/C16H17N5O3/c1-24-13-6-4-5-12(11-13)18-15(22)17-8-10-21-16(23)20-9-3-2-7-14(20)19-21/h2-7,9,11H,8,10H2,1H3,(H2,17,18,22)
InChIKeyAOOPIZDRYLKABF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.33
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea

1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea (PubChem CID 47076648) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
PubChem CID47076648
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCn2nc3ccccn3c2=O)c1
InChIInChI=1S/C16H17N5O3/c1-24-13-6-4-5-12(11-13)18-15(22)17-8-10-21-16(23)20-9-3-2-7-14(20)19-21/h2-7,9,11H,8,10H2,1H3,(H2,17,18,22)
InChIKeyAOOPIZDRYLKABF-UHFFFAOYSA-N
XLogP1.33
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea with MolForge

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Related Compounds

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]urea
CID 86943665
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204450
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]prop-2-enamide
CID 51124333
2-[2-(2-ethoxyanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43065476
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]naphthalene-2-carboxamide
CID 42960917
2-[(4-methoxybenzoyl)amino]-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzamide
CID 55838761
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
1-(3-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 5297462
methyl 4-methyl-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylamino]benzoate
CID 42955994
1-(3-methoxyphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 42029830

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea (CID 47076648) is 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea is COc1cccc(NC(=O)NCCn2nc3ccccn3c2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea?
The InChIKey is AOOPIZDRYLKABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-24-13-6-4-5-12(11-13)18-15(22)17-8-10-21-16(23)20-9-3-2-7-14(20)19-21/h2-7,9,11H,8,10H2,1H3,(H2,17,18,22).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea?
1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea has a molecular weight of 327.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea is sourced from PubChem (CID 47076648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).