3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine

C12H19N5 — CID 142292828

IUPAC3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine
SMILES[H]/N=C(\[C@H]1CCC[C@@H](C)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C12H19N5/c1-8-3-2-4-9(7-8)11(14)17-6-5-16-10(13)12(17)15/h5-6,8-9,14-15H,2-4,7H2,1H3,(H2,13,16)/b14-11+,15-12+/t8-,9+/m1/s1
InChIKeyHBVJLDFTIXAVNZ-SLKFBQRCSA-N
MW233.32 g/mol
LogP1.60
Rot. Bonds1

About 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine

3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine (PubChem CID 142292828) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine
PubChem CID142292828
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine
SMILES[H]/N=C(\[C@H]1CCC[C@@H](C)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C12H19N5/c1-8-3-2-4-9(7-8)11(14)17-6-5-16-10(13)12(17)15/h5-6,8-9,14-15H,2-4,7H2,1H3,(H2,13,16)/b14-11+,15-12+/t8-,9+/m1/s1
InChIKeyHBVJLDFTIXAVNZ-SLKFBQRCSA-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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Frequently Asked Questions

What is the IUPAC name of 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine?
The IUPAC name of 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine (CID 142292828) is 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine.
What is the SMILES notation for 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine?
The canonical SMILES for 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine is [H]/N=C(\[C@H]1CCC[C@@H](C)C1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine?
The InChIKey is HBVJLDFTIXAVNZ-SLKFBQRCSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-3-2-4-9(7-8)11(14)17-6-5-16-10(13)12(17)15/h5-6,8-9,14-15H,2-4,7H2,1H3,(H2,13,16)/b14-11+,15-12+/t8-,9+/m1/s1.
What are the key properties of 3-imino-4-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine?
3-imino-4-[(1S,3R)-3-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-[(1S,3R)-3-methylcyclohexanecarboximidoyl]pyrazin-2-amine is sourced from PubChem (CID 142292828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).