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

C16H17N5O — CID 47012876

IUPAC1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C16H17N5O/c1-12(15-20-19-14-9-5-6-10-21(14)15)18-16(22)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18,22)
InChIKeyWEPQSHWICCXMQQ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.29
Rot. Bonds4

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

1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (PubChem CID 47012876) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
PubChem CID47012876
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
SMILESCC(NC(=O)NCc1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C16H17N5O/c1-12(15-20-19-14-9-5-6-10-21(14)15)18-16(22)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18,22)
InChIKeyWEPQSHWICCXMQQ-UHFFFAOYSA-N
XLogP2.29
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluoro-3-methylphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954367
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 42954364
1-(2-hydroxypentyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111337892
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 110895448
2-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoylamino]propanediamide
CID 154774195
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 111504246
1-[(2-bromo-5-methoxyphenyl)methyl]-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47066663
2-amino-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 43703564
2-(4-hydroxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 78820554
2,2-diphenyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7692945
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089
3,3-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 47013028

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea (CID 47012876) is 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is CC(NC(=O)NCc1ccccc1)c1nnc2ccccn12.
What is the InChIKey of 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
The InChIKey is WEPQSHWICCXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12(15-20-19-14-9-5-6-10-21(14)15)18-16(22)17-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H2,17,18,22).
What are the key properties of 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea?
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea has a molecular weight of 295.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea is sourced from PubChem (CID 47012876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).