1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol

C13H15ClN4O — CID 64577247

IUPAC1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCn3cnnc3C2)c(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-9(19)10-2-3-12(11(14)6-10)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3
InChIKeyJPYCBWDXJFVSCU-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.01
Rot. Bonds2

About 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol

1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol (PubChem CID 64577247) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
PubChem CID64577247
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
SMILESCC(O)c1ccc(N2CCn3cnnc3C2)c(Cl)c1
InChIInChI=1S/C13H15ClN4O/c1-9(19)10-2-3-12(11(14)6-10)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3
InChIKeyJPYCBWDXJFVSCU-UHFFFAOYSA-N
XLogP2.01
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol 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

(1R)-1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol
CID 64577245
1-[3-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]ethanol
CID 55149781
1-[3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylethanamine
CID 64577052
(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-fluorophenyl]ethanol
CID 64577080
1-[2-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanamine
CID 64577059
(1R)-1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-fluorophenyl]ethanamine
CID 78996701
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-methylbenzoic acid
CID 64575249
1-[3-chloro-4-(4-cyclopropylpiperazin-1-yl)phenyl]ethanol
CID 62909724
(1S)-1-[3-chloro-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 78940987
1-[1-[2-chloro-4-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 103942850
1-[3-chloro-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanol
CID 62908356
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)benzaldehyde
CID 114844378

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol (CID 64577247) is 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol is CC(O)c1ccc(N2CCn3cnnc3C2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol?
The InChIKey is JPYCBWDXJFVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-9(19)10-2-3-12(11(14)6-10)17-4-5-18-8-15-16-13(18)7-17/h2-3,6,8-9,19H,4-5,7H2,1H3.
What are the key properties of 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol?
1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol has a molecular weight of 278.74 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]ethanol is sourced from PubChem (CID 64577247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).