3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine

C12H19N5 — CID 139314135

IUPAC3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\C1CCC(C)CC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C12H19N5/c1-8-2-4-9(5-3-8)11(14)17-7-6-16-10(13)12(17)15/h6-9,14-15H,2-5H2,1H3,(H2,13,16)/b14-11+,15-12+
InChIKeyGQCJSXXKWHWXMQ-LCPPQYOVSA-N
MW233.32 g/mol
LogP1.60
Rot. Bonds1

About 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine

3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine (PubChem CID 139314135) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine
PubChem CID139314135
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine
SMILES[H]/N=C(\C1CCC(C)CC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C12H19N5/c1-8-2-4-9(5-3-8)11(14)17-7-6-16-10(13)12(17)15/h6-9,14-15H,2-5H2,1H3,(H2,13,16)/b14-11+,15-12+
InChIKeyGQCJSXXKWHWXMQ-LCPPQYOVSA-N
XLogP1.60
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(5,5-Difluoro-2-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
CID 139313858
4-[(1S)-3,3-difluorocyclohexanecarboximidoyl]-3-iminopyrazin-2-amine
CID 139313894
3-Imino-4-[3-(trifluoromethyl)cyclohexanecarboximidoyl]pyrazin-2-amine
CID 139314142
4-(3,3-Difluoro-5,5-dimethylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
CID 139314157
3-Imino-4-[2-methyl-5-(trifluoromethyl)cyclohexanecarboximidoyl]pyrazin-2-amine
CID 139314158
4-(4,4-Difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
CID 142292829
4-(3,3-Difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
CID 142292899
Butane;4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine;ethane
CID 142292917
1-(Cyclohexanecarboximidoyl)-3-fluoropyrazin-2-imine
CID 168893817
3-Fluoro-1-(2-propylpentanimidoyl)pyrazin-2-imine
CID 168893994
4-(Cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine
CID 134299761
1-(Cyclohexanecarboximidoyl)-6-iminopyrimidin-5-amine
CID 134299783

Frequently Asked Questions

What is the IUPAC name of 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine?
The IUPAC name of 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine (CID 139314135) is 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine.
What is the SMILES notation for 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine?
The canonical SMILES for 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine is [H]/N=C(\C1CCC(C)CC1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine?
The InChIKey is GQCJSXXKWHWXMQ-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-2-4-9(5-3-8)11(14)17-7-6-16-10(13)12(17)15/h6-9,14-15H,2-5H2,1H3,(H2,13,16)/b14-11+,15-12+.
What are the key properties of 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine?
3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine is sourced from PubChem (CID 139314135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).