4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

C12H17F2N5 — CID 142292899

IUPAC4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CC(C)CC(F)(F)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C12H17F2N5/c1-7-4-8(6-12(13,14)5-7)10(16)19-3-2-18-9(15)11(19)17/h2-3,7-8,16-17H,4-6H2,1H3,(H2,15,18)/b16-10+,17-11+
InChIKeyREZDKUZNODLZET-OTYYAQKOSA-N
MW269.30 g/mol
LogP1.84
Rot. Bonds1

About 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (PubChem CID 142292899) has the molecular formula C12H17F2N5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.

Molecular Properties

Compound Name4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
PubChem CID142292899
Molecular FormulaC12H17F2N5
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CC(C)CC(F)(F)C1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C12H17F2N5/c1-7-4-8(6-12(13,14)5-7)10(16)19-3-2-18-9(15)11(19)17/h2-3,7-8,16-17H,4-6H2,1H3,(H2,15,18)/b16-10+,17-11+
InChIKeyREZDKUZNODLZET-OTYYAQKOSA-N
XLogP1.84
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.84
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 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The IUPAC name of 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (CID 142292899) is 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.
What is the SMILES notation for 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The canonical SMILES for 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is [H]/N=C(\C1CC(C)CC(F)(F)C1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The InChIKey is REZDKUZNODLZET-OTYYAQKOSA-N. The full InChI is InChI=1S/C12H17F2N5/c1-7-4-8(6-12(13,14)5-7)10(16)19-3-2-18-9(15)11(19)17/h2-3,7-8,16-17H,4-6H2,1H3,(H2,15,18)/b16-10+,17-11+.
What are the key properties of 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine has a molecular weight of 269.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoro-5-methylcyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is sourced from PubChem (CID 142292899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).