3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile

C12H17N5O — CID 62671633

IUPAC3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCN1CCOCC1
InChIInChI=1S/C12H17N5O/c13-10-11-12(16-4-3-14-11)15-2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2,(H,15,16)
InChIKeyHJIOIFZCPHYJDI-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.48
Rot. Bonds5

About 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile

3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile (PubChem CID 62671633) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile
PubChem CID62671633
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NCCCN1CCOCC1
InChIInChI=1S/C12H17N5O/c13-10-11-12(16-4-3-14-11)15-2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2,(H,15,16)
InChIKeyHJIOIFZCPHYJDI-UHFFFAOYSA-N
XLogP0.48
TPSA74.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile (CID 62671633) is 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile is N#Cc1nccnc1NCCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile?
The InChIKey is HJIOIFZCPHYJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c13-10-11-12(16-4-3-14-11)15-2-1-5-17-6-8-18-9-7-17/h3-4H,1-2,5-9H2,(H,15,16).
What are the key properties of 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile?
3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 62671633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).