3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile

C10H12N4O — CID 136582874

IUPAC3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile
SMILESCC1(O)CC(Nc2nccnc2C#N)C1
InChIInChI=1S/C10H12N4O/c1-10(15)4-7(5-10)14-9-8(6-11)12-2-3-13-9/h2-3,7,15H,4-5H2,1H3,(H,13,14)
InChIKeyJOYMGBGBHLOSFJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.67
Rot. Bonds2

About 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile

3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile (PubChem CID 136582874) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile
PubChem CID136582874
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile
SMILESCC1(O)CC(Nc2nccnc2C#N)C1
InChIInChI=1S/C10H12N4O/c1-10(15)4-7(5-10)14-9-8(6-11)12-2-3-13-9/h2-3,7,15H,4-5H2,1H3,(H,13,14)
InChIKeyJOYMGBGBHLOSFJ-UHFFFAOYSA-N
XLogP0.67
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile (CID 136582874) is 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile is CC1(O)CC(Nc2nccnc2C#N)C1.
What is the InChIKey of 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile?
The InChIKey is JOYMGBGBHLOSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-10(15)4-7(5-10)14-9-8(6-11)12-2-3-13-9/h2-3,7,15H,4-5H2,1H3,(H,13,14).
What are the key properties of 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile?
3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 136582874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).