1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea

C19H23N5O — CID 91947817

IUPAC1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
SMILESCC(C)c1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1
InChIInChI=1S/C19H23N5O/c1-14(2)15-8-10-16(11-9-15)21-19(25)20-12-5-7-18-23-22-17-6-3-4-13-24(17)18/h3-4,6,8-11,13-14H,5,7,12H2,1-2H3,(H2,20,21,25)
InChIKeyZAVSRPWRJRGXRO-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.61
Rot. Bonds6

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

1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea (PubChem CID 91947817) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
PubChem CID91947817
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
SMILESCC(C)c1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1
InChIInChI=1S/C19H23N5O/c1-14(2)15-8-10-16(11-9-15)21-19(25)20-12-5-7-18-23-22-17-6-3-4-13-24(17)18/h3-4,6,8-11,13-14H,5,7,12H2,1-2H3,(H2,20,21,25)
InChIKeyZAVSRPWRJRGXRO-UHFFFAOYSA-N
XLogP3.61
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91947721
1-(2-hydroxy-1-phenylethyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 111795490
3-(phenylcarbamoylamino)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9451649
1-(3,4-dimethylphenyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 51290333
2-methyl-1-[3-(4-propan-2-ylphenyl)propyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111549518
(3R)-3-(4-chlorophenyl)-3-pyrrol-1-yl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 125431375
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
2-(methylamino)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 62638996
4-(2-acetylhydrazinyl)-4-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 91947749
2-(2-methylpropyl)-1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine;hydroiodide
CID 111802991
3-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 24629916
5-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiophene-2-carboxamide
CID 91947820

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea (CID 91947817) is 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea is CC(C)c1ccc(NC(=O)NCCCc2nnc3ccccn23)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
The InChIKey is ZAVSRPWRJRGXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14(2)15-8-10-16(11-9-15)21-19(25)20-12-5-7-18-23-22-17-6-3-4-13-24(17)18/h3-4,6,8-11,13-14H,5,7,12H2,1-2H3,(H2,20,21,25).
What are the key properties of 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea?
1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea has a molecular weight of 337.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea is sourced from PubChem (CID 91947817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).