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

C14H13N5O2 — CID 53204450

IUPAC1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCOc1cccc(NC(=O)Nc2nnc3ccccn23)c1
InChIInChI=1S/C14H13N5O2/c1-21-11-6-4-5-10(9-11)15-14(20)16-13-18-17-12-7-2-3-8-19(12)13/h2-9H,1H3,(H2,15,16,18,20)
InChIKeyUTHQDUAEXLOTMG-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.38
Rot. Bonds3

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

1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (PubChem CID 53204450) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
PubChem CID53204450
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
SMILESCOc1cccc(NC(=O)Nc2nnc3ccccn23)c1
InChIInChI=1S/C14H13N5O2/c1-21-11-6-4-5-10(9-11)15-14(20)16-13-18-17-12-7-2-3-8-19(12)13/h2-9H,1H3,(H2,15,16,18,20)
InChIKeyUTHQDUAEXLOTMG-UHFFFAOYSA-N
XLogP2.38
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea
CID 53204464
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
1-(3-methoxyphenyl)-3-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]urea
CID 47076648
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-(3-methoxyphenyl)-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]acetamide
CID 95188322
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
N-[(2,5-dimethoxyphenyl)methyl]-N'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanediamide
CID 53204352
5-(4-methoxyphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide
CID 53204394
1-(1-ethylbenzimidazol-2-yl)-3-(3-methoxyphenyl)urea
CID 35279970
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea (CID 53204450) is 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is COc1cccc(NC(=O)Nc2nnc3ccccn23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
The InChIKey is UTHQDUAEXLOTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-21-11-6-4-5-10(9-11)15-14(20)16-13-18-17-12-7-2-3-8-19(12)13/h2-9H,1H3,(H2,15,16,18,20).
What are the key properties of 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea?
1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea has a molecular weight of 283.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)urea is sourced from PubChem (CID 53204450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).