5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile

C9H12N4 — CID 165380889

IUPAC5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
SMILESCC[C@H](C)c1nc(N)cnc1C#N
InChIInChI=1S/C9H12N4/c1-3-6(2)9-7(4-10)12-5-8(11)13-9/h5-6H,3H2,1-2H3,(H2,11,13)/t6-/m0/s1
InChIKeyNWXKEIZDFBOUQR-LURJTMIESA-N
MW176.22 g/mol
LogP1.44
Rot. Bonds2

About 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile

5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile (PubChem CID 165380889) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
PubChem CID165380889
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile
SMILESCC[C@H](C)c1nc(N)cnc1C#N
InChIInChI=1S/C9H12N4/c1-3-6(2)9-7(4-10)12-5-8(11)13-9/h5-6H,3H2,1-2H3,(H2,11,13)/t6-/m0/s1
InChIKeyNWXKEIZDFBOUQR-LURJTMIESA-N
XLogP1.44
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-[(2S)-butan-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-amino-3-propan-2-ylpyrazine-2-carbonitrile
CID 123481149
6-[(2R)-butan-2-yl]-5-methylpyrazin-2-amine
CID 167607500
5-amino-3-methylpyrazine-2-carbonitrile
CID 71744183
5-amino-2-butan-2-yl-1,3-oxazole-4-carbonitrile
CID 66008656
6-butan-2-yl-5-methylpyridine-3-carbonitrile;ethane
CID 171630717
4-amino-5-ethyl-3-fluoropyridine-2-carbonitrile
CID 126485209
4-amino-2-butan-2-ylsulfanylpyrimidine-5-carbonitrile
CID 130650777
5-butan-2-yl-10-methylpyrazino[2,3-g]quinoxaline-2,3,7,8-tetracarbonitrile
CID 162729495
6-amino-3-(2-methoxypropan-2-yl)pyrazine-2-carbonitrile;ethane
CID 142334723
2-butan-2-ylpyrimidin-4-amine
CID 62313263
3-butan-2-yl-N-ethylpyrazin-2-amine
CID 112559319
5-amino-6-propan-2-ylpyrazine-2,3-dicarbonitrile
CID 53406964

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile (CID 165380889) is 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile is CC[C@H](C)c1nc(N)cnc1C#N.
What is the InChIKey of 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile?
The InChIKey is NWXKEIZDFBOUQR-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N4/c1-3-6(2)9-7(4-10)12-5-8(11)13-9/h5-6H,3H2,1-2H3,(H2,11,13)/t6-/m0/s1.
What are the key properties of 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile?
5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(2S)-butan-2-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 165380889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).