3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile

C11H16N4 — CID 134914335

IUPAC3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
SMILESCCCCNc1nc(C)c(C)nc1C#N
InChIInChI=1S/C11H16N4/c1-4-5-6-13-11-10(7-12)14-8(2)9(3)15-11/h4-6H2,1-3H3,(H,13,15)
InChIKeyCMTKJYXHFHOYBR-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.18
Rot. Bonds4

About 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile

3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile (PubChem CID 134914335) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
PubChem CID134914335
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
SMILESCCCCNc1nc(C)c(C)nc1C#N
InChIInChI=1S/C11H16N4/c1-4-5-6-13-11-10(7-12)14-8(2)9(3)15-11/h4-6H2,1-3H3,(H,13,15)
InChIKeyCMTKJYXHFHOYBR-UHFFFAOYSA-N
XLogP2.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile
CID 10799773
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
5-cyano-6-(heptylamino)pyrazine-2-carboxamide
CID 52918028
6-methyl-2-(octylamino)pyridine-3-carbonitrile
CID 113337282
4-(butylamino)-2-chloropyrimidine-5-carbonitrile
CID 22390630
3-[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]propanenitrile
CID 22313246
2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 102449546
4-N-butyl-5,6-dimethylpyrimidine-2,4-diamine
CID 135271001
7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452748
4-(butylamino)-6-methylpyridine-2-carbonitrile
CID 130678948
5-amino-3-(butylamino)-1,2-oxazole-4-carbonitrile
CID 102795776

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile?
The IUPAC name of 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile (CID 134914335) is 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile is CCCCNc1nc(C)c(C)nc1C#N.
What is the InChIKey of 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile?
The InChIKey is CMTKJYXHFHOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-5-6-13-11-10(7-12)14-8(2)9(3)15-11/h4-6H2,1-3H3,(H,13,15).
What are the key properties of 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile?
3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile is sourced from PubChem (CID 134914335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).