3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile

C10H12N4O — CID 141387005

IUPAC3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CC(CO)C1
InChIInChI=1S/C10H12N4O/c11-5-9-10(13-2-1-12-9)14-8-3-7(4-8)6-15/h1-2,7-8,15H,3-4,6H2,(H,13,14)
InChIKeyCHBSTYFWQTXEMR-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.53
Rot. Bonds3

About 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile

3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile (PubChem CID 141387005) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile
PubChem CID141387005
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1NC1CC(CO)C1
InChIInChI=1S/C10H12N4O/c11-5-9-10(13-2-1-12-9)14-8-3-7(4-8)6-15/h1-2,7-8,15H,3-4,6H2,(H,13,14)
InChIKeyCHBSTYFWQTXEMR-UHFFFAOYSA-N
XLogP0.53
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile (CID 141387005) is 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile is N#Cc1nccnc1NC1CC(CO)C1.
What is the InChIKey of 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile?
The InChIKey is CHBSTYFWQTXEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-5-9-10(13-2-1-12-9)14-8-3-7(4-8)6-15/h1-2,7-8,15H,3-4,6H2,(H,13,14).
What are the key properties of 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile?
3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)cyclobutyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 141387005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).