3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile

C10H11N5O2 — CID 141144595

IUPAC3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile
SMILESCC(O)N(c1ncc(C#N)nc1C#N)C(C)O
InChIInChI=1S/C10H11N5O2/c1-6(16)15(7(2)17)10-9(4-12)14-8(3-11)5-13-10/h5-7,16-17H,1-2H3
InChIKeyIIOMXUKAYKPQCR-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.30
Rot. Bonds3

About 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile

3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile (PubChem CID 141144595) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile.

Molecular Properties

Compound Name3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile
PubChem CID141144595
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile
SMILESCC(O)N(c1ncc(C#N)nc1C#N)C(C)O
InChIInChI=1S/C10H11N5O2/c1-6(16)15(7(2)17)10-9(4-12)14-8(3-11)5-13-10/h5-7,16-17H,1-2H3
InChIKeyIIOMXUKAYKPQCR-UHFFFAOYSA-N
XLogP-0.30
TPSA117.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile?
The IUPAC name of 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile (CID 141144595) is 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile.
What is the SMILES notation for 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile?
The canonical SMILES for 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile is CC(O)N(c1ncc(C#N)nc1C#N)C(C)O.
What is the InChIKey of 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile?
The InChIKey is IIOMXUKAYKPQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6(16)15(7(2)17)10-9(4-12)14-8(3-11)5-13-10/h5-7,16-17H,1-2H3.
What are the key properties of 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile?
3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile has a molecular weight of 233.23 g/mol, XLogP of -0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(1-hydroxyethyl)amino]pyrazine-2,6-dicarbonitrile is sourced from PubChem (CID 141144595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).