3-(3-hydroxypropylamino)pyrazine-2-carbonitrile

C8H10N4O — CID 62672165

IUPAC3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCO
InChIInChI=1S/C8H10N4O/c9-6-7-8(11-2-1-5-13)12-4-3-10-7/h3-4,13H,1-2,5H2,(H,11,12)
InChIKeyPYAWKJFZURSVPT-UHFFFAOYSA-N
MW178.20 g/mol
LogP0.14
Rot. Bonds4

About 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile

3-(3-hydroxypropylamino)pyrazine-2-carbonitrile (PubChem CID 62672165) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
PubChem CID62672165
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC Name3-(3-hydroxypropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCO
InChIInChI=1S/C8H10N4O/c9-6-7-8(11-2-1-5-13)12-4-3-10-7/h3-4,13H,1-2,5H2,(H,11,12)
InChIKeyPYAWKJFZURSVPT-UHFFFAOYSA-N
XLogP0.14
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile (CID 62672165) is 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCO.
What is the InChIKey of 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
The InChIKey is PYAWKJFZURSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c9-6-7-8(11-2-1-5-13)12-4-3-10-7/h3-4,13H,1-2,5H2,(H,11,12).
What are the key properties of 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile?
3-(3-hydroxypropylamino)pyrazine-2-carbonitrile has a molecular weight of 178.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62672165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).