5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile

C10H10ClN5 — CID 10799773

IUPAC5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile
SMILESCCCCNc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C10H10ClN5/c1-2-3-4-14-10-9(11)15-7(5-12)8(6-13)16-10/h2-4H2,1H3,(H,14,16)
InChIKeyFYGURAIBWJJQNI-UHFFFAOYSA-N
MW235.68 g/mol
LogP2.09
Rot. Bonds4

About 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile

5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile (PubChem CID 10799773) has the molecular formula C10H10ClN5 and a molecular weight of 235.68 g/mol. Its IUPAC name is 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile
PubChem CID10799773
Molecular FormulaC10H10ClN5
Molecular Weight235.68 g/mol
Exact Mass235.06
IUPAC Name5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile
SMILESCCCCNc1nc(C#N)c(C#N)nc1Cl
InChIInChI=1S/C10H10ClN5/c1-2-3-4-14-10-9(11)15-7(5-12)8(6-13)16-10/h2-4H2,1H3,(H,14,16)
InChIKeyFYGURAIBWJJQNI-UHFFFAOYSA-N
XLogP2.09
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(butylamino)-5,6-dimethylpyrazine-2-carbonitrile
CID 134914335
4-(butylamino)-2-chloropyrimidine-5-carbonitrile
CID 22390630
3-(octylamino)pyrazine-2-carbonitrile
CID 115568129
3-chloro-6-(hexylamino)pyridine-2-carbonitrile
CID 56583872
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
5-amino-3-butyl-6-chloropyrazine-2-carbonitrile
CID 89081665
5-amino-3-(butylamino)-1,2-oxazole-4-carbonitrile
CID 102795776
6-chloro-2,5-dimethyl-N-pentylpyrimidin-4-amine
CID 63730254
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 13359707
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile?
The IUPAC name of 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile (CID 10799773) is 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile.
What is the SMILES notation for 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile?
The canonical SMILES for 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile is CCCCNc1nc(C#N)c(C#N)nc1Cl.
What is the InChIKey of 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile?
The InChIKey is FYGURAIBWJJQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5/c1-2-3-4-14-10-9(11)15-7(5-12)8(6-13)16-10/h2-4H2,1H3,(H,14,16).
What are the key properties of 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile?
5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile has a molecular weight of 235.68 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-6-chloropyrazine-2,3-dicarbonitrile is sourced from PubChem (CID 10799773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).