3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol

C9H7N3O — CID 169485147

IUPAC3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C9H7N3O/c13-5-1-2-7-6-11-9-8(12-7)3-4-10-9/h3-4,6,13H,5H2,(H,10,11)
InChIKeyHXYWBIZBVZMEBE-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds

About 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol

3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol (PubChem CID 169485147) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
PubChem CID169485147
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cnc2[nH]ccc2n1
InChIInChI=1S/C9H7N3O/c13-5-1-2-7-6-11-9-8(12-7)3-4-10-9/h3-4,6,13H,5H2,(H,10,11)
InChIKeyHXYWBIZBVZMEBE-UHFFFAOYSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol 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

3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yne-1-thiol
CID 169486707
2-(4-chlorobut-1-ynyl)-5H-pyrrolo[2,3-b]pyrazine
CID 170467919
3-(5,6-diaminopyrazin-2-yl)prop-2-yn-1-ol
CID 169484738
5H-pyrrolo[2,3-b]pyrazin-2-ylmethanamine
CID 67361463
5H-pyrrolo[2,3-b]pyrazin-2-ylmethylcarbamic acid
CID 67362267
5H-pyrrolo[2,3-b]pyrazin-2-ylurea
CID 67385138
N-(5H-pyrrolo[2,3-b]pyrazin-2-yl)formamide
CID 87377333
3-(5-methylsulfanyl-2-pyridinyl)prop-2-yn-1-ol
CID 139335443
N-tert-butyl-5H-pyrrolo[2,3-b]pyrazin-2-amine
CID 162470615
2-(2-fluoro-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122193287
3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol
CID 169485143
4-methyl-3-[2-(5H-pyrrolo[2,3-b]pyrazin-3-yl)ethynyl]benzoic acid
CID 175167659

Frequently Asked Questions

What is the IUPAC name of 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol (CID 169485147) is 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol is OCC#Cc1cnc2[nH]ccc2n1.
What is the InChIKey of 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol?
The InChIKey is HXYWBIZBVZMEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-5-1-2-7-6-11-9-8(12-7)3-4-10-9/h3-4,6,13H,5H2,(H,10,11).
What are the key properties of 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol?
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol has a molecular weight of 173.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169485147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).