6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile

C13H18N4O — CID 164632328

IUPAC6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile
SMILESCC1(C)CCC[C@@]1(O)CNc1cncc(C#N)n1
InChIInChI=1S/C13H18N4O/c1-12(2)4-3-5-13(12,18)9-16-11-8-15-7-10(6-14)17-11/h7-8,18H,3-5,9H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyMPJTUIOAJWGQNN-CYBMUJFWSA-N
MW246.31 g/mol
LogP1.70
Rot. Bonds3

About 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile

6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 164632328) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile
PubChem CID164632328
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile
SMILESCC1(C)CCC[C@@]1(O)CNc1cncc(C#N)n1
InChIInChI=1S/C13H18N4O/c1-12(2)4-3-5-13(12,18)9-16-11-8-15-7-10(6-14)17-11/h7-8,18H,3-5,9H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyMPJTUIOAJWGQNN-CYBMUJFWSA-N
XLogP1.70
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80843498
6-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carbonitrile
CID 167788703
5-[(1-hydroxycyclopentyl)methylamino]pyrazine-2-carbonitrile
CID 65110472
6-(but-3-ynylamino)pyrazine-2-carbonitrile
CID 164644069
6-(piperidin-1-ylamino)pyrazine-2-carbonitrile
CID 12506289
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
5-[(1-methylsulfanylcyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 107268789
6-chloro-N-[(1-methylsulfanylcyclobutyl)methyl]pyrazin-2-amine
CID 107268817
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
[1-[[[6-(ethylamino)pyrazin-2-yl]amino]methyl]cyclopropyl]methanol
CID 79478877
3-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]-1-methylpyrazin-2-one
CID 164637001
5-[(1-methoxycyclobutyl)methylamino]pyrazine-2-carbonitrile
CID 104918166

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile (CID 164632328) is 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile is CC1(C)CCC[C@@]1(O)CNc1cncc(C#N)n1.
What is the InChIKey of 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is MPJTUIOAJWGQNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N4O/c1-12(2)4-3-5-13(12,18)9-16-11-8-15-7-10(6-14)17-11/h7-8,18H,3-5,9H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile?
6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164632328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).