1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

C15H15N5O2 — CID 97347722

IUPAC1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(NC[C@@H](O)c1ccccc1)Nc1nc2ccccn2n1
InChIInChI=1S/C15H15N5O2/c21-12(11-6-2-1-3-7-11)10-16-15(22)18-14-17-13-8-4-5-9-20(13)19-14/h1-9,12,21H,10H2,(H2,16,18,19,22)/t12-/m1/s1
InChIKeyRTTRBYNVAVUSRG-GFCCVEGCSA-N
MW297.32 g/mol
LogP1.58
Rot. Bonds4

About 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea

1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 97347722) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID97347722
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(NC[C@@H](O)c1ccccc1)Nc1nc2ccccn2n1
InChIInChI=1S/C15H15N5O2/c21-12(11-6-2-1-3-7-11)10-16-15(22)18-14-17-13-8-4-5-9-20(13)19-14/h1-9,12,21H,10H2,(H2,16,18,19,22)/t12-/m1/s1
InChIKeyRTTRBYNVAVUSRG-GFCCVEGCSA-N
XLogP1.58
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-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

(1S,2R)-1-phenyl-2-[(1-phenyl-6-propoxypyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 15667134
N-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25129381
(S)-2-(3-(4-(hydroxymethyl)phenyl)imidazo[1,2-b]pyridazin-6-ylamino)-3-methylbutan-1-ol
CID 44580312
2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-phenylethanol
CID 11371816
2-(4-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-phenylethanol
CID 11473434
2-[4-[(4-Fluorophenyl)methylamino]pyrazolo[3,4-d]pyrimidin-1-yl]-1-phenylethanol
CID 11602995
1-Phenyl-2-[4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
CID 11680937
(1R,2S)-1-phenyl-2-[(1-phenyl-6-propoxypyrazolo[3,4-d]pyrimidin-4-yl)amino]propan-1-ol
CID 15667133
[2-([1,2,4]Triazolo[4,3-a]pyridin-6-yl)phenyl]methanol
CID 49786340
1-Benzyl-3-[6-(4-hydroxy-3,5-dimethylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 156014413
[3-(2-Amino-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)phenyl]methanol
CID 14685643
2-[4-(Butylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-1-phenylethanol
CID 11404154

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 97347722) is 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is O=C(NC[C@@H](O)c1ccccc1)Nc1nc2ccccn2n1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is RTTRBYNVAVUSRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-12(11-6-2-1-3-7-11)10-16-15(22)18-14-17-13-8-4-5-9-20(13)19-14/h1-9,12,21H,10H2,(H2,16,18,19,22)/t12-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-phenylethyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 97347722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).