3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile

C13H18N4O — CID 95971216

IUPAC3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
SMILESCO[C@]1(C)C[C@@H](Nc2nccnc2C#N)C1(C)C
InChIInChI=1S/C13H18N4O/c1-12(2)10(7-13(12,3)18-4)17-11-9(8-14)15-5-6-16-11/h5-6,10H,7H2,1-4H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyZEIYQMHJUHYISV-ZWNOBZJWSA-N
MW246.31 g/mol
LogP1.96
Rot. Bonds3

About 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile

3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile (PubChem CID 95971216) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
PubChem CID95971216
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile
SMILESCO[C@]1(C)C[C@@H](Nc2nccnc2C#N)C1(C)C
InChIInChI=1S/C13H18N4O/c1-12(2)10(7-13(12,3)18-4)17-11-9(8-14)15-5-6-16-11/h5-6,10H,7H2,1-4H3,(H,16,17)/t10-,13-/m1/s1
InChIKeyZEIYQMHJUHYISV-ZWNOBZJWSA-N
XLogP1.96
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
CID 133439566
5-chloro-6-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridine-3-carbonitrile
CID 166217651
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
CID 95971222
3-[(2-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62672162
3-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)amino]pyrazine-2-carbonitrile
CID 133361670
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
6-chloro-3-[(3-methoxy-2,2,3-trimethylcyclobutyl)amino]pyridazine-4-carboxamide
CID 133341407
3-[(4-propan-2-ylcycloheptyl)amino]pyrazine-2-carbonitrile
CID 133479818
3-[[(7S)-1,4-dioxaspiro[4.5]decan-7-yl]amino]pyrazine-2-carbonitrile
CID 97349056
3-(3-methylbutan-2-ylamino)pyrazine-2-carbonitrile
CID 62672516
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile (CID 95971216) is 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile is CO[C@]1(C)C[C@@H](Nc2nccnc2C#N)C1(C)C.
What is the InChIKey of 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile?
The InChIKey is ZEIYQMHJUHYISV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H18N4O/c1-12(2)10(7-13(12,3)18-4)17-11-9(8-14)15-5-6-16-11/h5-6,10H,7H2,1-4H3,(H,16,17)/t10-,13-/m1/s1.
What are the key properties of 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile?
3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 95971216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).