5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile

C14H18N4 — CID 167909166

IUPAC5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile
SMILESCC(C)C1N(c2cnc(C#N)cn2)CC12CCC2
InChIInChI=1S/C14H18N4/c1-10(2)13-14(4-3-5-14)9-18(13)12-8-16-11(6-15)7-17-12/h7-8,10,13H,3-5,9H2,1-2H3
InChIKeyQWILMDSADMFTGW-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.36
Rot. Bonds2

About 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile

5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile (PubChem CID 167909166) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile
PubChem CID167909166
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile
SMILESCC(C)C1N(c2cnc(C#N)cn2)CC12CCC2
InChIInChI=1S/C14H18N4/c1-10(2)13-14(4-3-5-14)9-18(13)12-8-16-11(6-15)7-17-12/h7-8,10,13H,3-5,9H2,1-2H3
InChIKeyQWILMDSADMFTGW-UHFFFAOYSA-N
XLogP2.36
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(6-azaspiro[3.4]octan-6-yl)pyrazine-2-carbonitrile
CID 133491304
5-[(3R)-4-(5-cyanopyrazin-2-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133485263
5-[(8S)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazine-2-carbonitrile
CID 124885730
5-(3-methyl-2-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133485562
5-(3-methyl-3-propylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 133484886
5-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 129491902
5-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pyrazine-2-carbonitrile
CID 66208860
5-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 99802734
5-[2-(2-cyclopentylethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 127909683
5-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)pyrazine-2-carbonitrile
CID 167790696
5-(3-methylsulfonylthiomorpholin-4-yl)pyrazine-2-carbonitrile
CID 66383257
5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133291219

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile (CID 167909166) is 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile is CC(C)C1N(c2cnc(C#N)cn2)CC12CCC2.
What is the InChIKey of 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile?
The InChIKey is QWILMDSADMFTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10(2)13-14(4-3-5-14)9-18(13)12-8-16-11(6-15)7-17-12/h7-8,10,13H,3-5,9H2,1-2H3.
What are the key properties of 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile?
5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 167909166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).