1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

C16H17N5O — CID 53014329

IUPAC1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc3nnc(C)n3c2)c1
InChIInChI=1S/C16H17N5O/c1-3-12-5-4-6-13(9-12)17-16(22)18-14-7-8-15-20-19-11(2)21(15)10-14/h4-10H,3H2,1-2H3,(H2,17,18,22)
InChIKeyZMXPQGCFRAYYIK-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.24
Rot. Bonds3

About 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea

1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (PubChem CID 53014329) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
PubChem CID53014329
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCCc1cccc(NC(=O)Nc2ccc3nnc(C)n3c2)c1
InChIInChI=1S/C16H17N5O/c1-3-12-5-4-6-13(9-12)17-16(22)18-14-7-8-15-20-19-11(2)21(15)10-14/h4-10H,3H2,1-2H3,(H2,17,18,22)
InChIKeyZMXPQGCFRAYYIK-UHFFFAOYSA-N
XLogP3.24
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 53014321
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
CID 53014344
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-ethylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61348000
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
3-methyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 47090674
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
1-(3-chloro-4-methylphenyl)-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 50846563
1-(3-ethylphenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920804
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The IUPAC name of 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (CID 53014329) is 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is CCc1cccc(NC(=O)Nc2ccc3nnc(C)n3c2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The InChIKey is ZMXPQGCFRAYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-3-12-5-4-6-13(9-12)17-16(22)18-14-7-8-15-20-19-11(2)21(15)10-14/h4-10H,3H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea has a molecular weight of 295.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is sourced from PubChem (CID 53014329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).