5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile

C10H12N4O — CID 75457583

IUPAC5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC2(O)CCC2)cn1
InChIInChI=1S/C10H12N4O/c11-4-8-5-13-9(6-12-8)14-7-10(15)2-1-3-10/h5-6,15H,1-3,7H2,(H,13,14)
InChIKeyYDEGZWVAZYBYJG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.68
Rot. Bonds3

About 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile

5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile (PubChem CID 75457583) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
PubChem CID75457583
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCC2(O)CCC2)cn1
InChIInChI=1S/C10H12N4O/c11-4-8-5-13-9(6-12-8)14-7-10(15)2-1-3-10/h5-6,15H,1-3,7H2,(H,13,14)
InChIKeyYDEGZWVAZYBYJG-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Pentylamino)pyrazine-2,5-dicarbonitrile
CID 57394665
3-[(3-Hydroxy-3-methylcyclobutyl)amino]pyrazine-2-carbonitrile
CID 136582874
2-Methyl-1-[(3-methylpyrazin-2-yl)amino]propan-2-ol
CID 83063307
3-[[3-(Hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
CID 141384616
3-[[1-Hydroxy-3-(hydroxymethyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
CID 141384635
3-{[3-(Hydroxymethyl)cyclobutyl]amino}pyrazine-2-carbonitrile
CID 141387005
5-Cyclopropyl-3-[(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 156846936
5-Cyclopropyl-3-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 156846947
1-[[(6-Cyclopropylpyrazin-2-yl)amino]methyl]cyclobutan-1-ol
CID 169730491
N-[(1R,2R)-2-methoxy-2-methylcyclobutyl]-3,6-dimethylpyrazin-2-amine
CID 178719057
3-[(1-Hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 60291411
3-[(2-Hydroxy-2,3-dimethylbutyl)amino]pyrazine-2-carbonitrile
CID 60291733

Frequently Asked Questions

What is the IUPAC name of 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile (CID 75457583) is 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCC2(O)CCC2)cn1.
What is the InChIKey of 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
The InChIKey is YDEGZWVAZYBYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-4-8-5-13-9(6-12-8)14-7-10(15)2-1-3-10/h5-6,15H,1-3,7H2,(H,13,14).
What are the key properties of 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile?
5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile has a molecular weight of 204.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-hydroxycyclobutyl)methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 75457583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).