4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine

C12H19N5 — CID 134299761

IUPAC4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine
SMILES[H]/N=C(\C1CCCCC1)n1c(C)cnc(N)/c1=N\[H]
InChIInChI=1S/C12H19N5/c1-8-7-16-10(13)12(15)17(8)11(14)9-5-3-2-4-6-9/h7,9,14-15H,2-6H2,1H3,(H2,13,16)/b14-11+,15-12+
InChIKeyBUJSGVNNFOLARO-LCPPQYOVSA-N
MW233.32 g/mol
LogP1.66
Rot. Bonds1

About 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine

4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine (PubChem CID 134299761) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine.

Molecular Properties

Compound Name4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine
PubChem CID134299761
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine
SMILES[H]/N=C(\C1CCCCC1)n1c(C)cnc(N)/c1=N\[H]
InChIInChI=1S/C12H19N5/c1-8-7-16-10(13)12(15)17(8)11(14)9-5-3-2-4-6-9/h7,9,14-15H,2-6H2,1H3,(H2,13,16)/b14-11+,15-12+
InChIKeyBUJSGVNNFOLARO-LCPPQYOVSA-N
XLogP1.66
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 ≤ 51.66
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

1-(Cyclohexanecarboximidoyl)-6-iminopyrimidin-5-amine
CID 134299783
3-cyclohexyl-6-methyl-4H-pyrazino[2,1-c][1,2,4]triazin-9-amine
CID 139313929
3-Imino-4-(3-methylcyclohexanecarboximidoyl)pyrazin-2-amine
CID 139314010
3-Imino-4-(4-methylcyclohexanecarboximidoyl)pyrazin-2-amine
CID 139314135
3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine
CID 142292828
4-(Cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
CID 142292883

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine?
The IUPAC name of 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine (CID 134299761) is 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine.
What is the SMILES notation for 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine?
The canonical SMILES for 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine is [H]/N=C(\C1CCCCC1)n1c(C)cnc(N)/c1=N\[H].
What is the InChIKey of 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine?
The InChIKey is BUJSGVNNFOLARO-LCPPQYOVSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-7-16-10(13)12(15)17(8)11(14)9-5-3-2-4-6-9/h7,9,14-15H,2-6H2,1H3,(H2,13,16)/b14-11+,15-12+.
What are the key properties of 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine?
4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarboximidoyl)-3-imino-5-methylpyrazin-2-amine is sourced from PubChem (CID 134299761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).