1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

C14H19N5O2 — CID 111483104

IUPAC1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1ncnc1CNC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C14H19N5O2/c1-19-13(17-10-18-19)9-16-14(21)15-8-7-12(20)11-5-3-2-4-6-11/h2-6,10,12,20H,7-9H2,1H3,(H2,15,16,21)
InChIKeyGWQUBJMMSNBVCO-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.74
Rot. Bonds6

About 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea

1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 111483104) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID111483104
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1ncnc1CNC(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C14H19N5O2/c1-19-13(17-10-18-19)9-16-14(21)15-8-7-12(20)11-5-3-2-4-6-11/h2-6,10,12,20H,7-9H2,1H3,(H2,15,16,21)
InChIKeyGWQUBJMMSNBVCO-UHFFFAOYSA-N
XLogP0.74
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]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-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 111483103
1-(3-hydroxy-3-phenylpropyl)-3-(pyridin-2-ylmethyl)urea
CID 111470925
1-[(4-fluorophenyl)methyl]-3-[(3R)-3-hydroxy-3-phenylpropyl]urea
CID 97038671
1-(2-ethylbutyl)-3-(3-hydroxy-3-phenylpropyl)urea
CID 111480824
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566343
1-[(3R)-3-hydroxy-3-phenylpropyl]-3-(thiophen-2-ylmethyl)urea
CID 96566342
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-(3-hydroxy-3-phenylpropyl)-3-(1-methylpyrazol-3-yl)urea
CID 111578993
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
1-(3-hydroxy-3-phenylpropyl)-3-(3-methylsulfanylpropyl)urea
CID 111481712
1-(3-hydroxy-3-phenylpropyl)-3-pent-3-enylurea
CID 111481680

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 111483104) is 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is Cn1ncnc1CNC(=O)NCCC(O)c1ccccc1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is GWQUBJMMSNBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19-13(17-10-18-19)9-16-14(21)15-8-7-12(20)11-5-3-2-4-6-11/h2-6,10,12,20H,7-9H2,1H3,(H2,15,16,21).
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 289.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 111483104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).