4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

C11H15F2N5 — CID 142292829

IUPAC4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CCC(F)(F)CC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C11H15F2N5/c12-11(13)3-1-7(2-4-11)9(15)18-6-5-17-8(14)10(18)16/h5-7,15-16H,1-4H2,(H2,14,17)/b15-9+,16-10+
InChIKeyWIQDGNYNSIQUJM-KAVGSWPWSA-N
MW255.27 g/mol
LogP1.60
Rot. Bonds1

About 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (PubChem CID 142292829) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.

Molecular Properties

Compound Name4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
PubChem CID142292829
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Name4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CCC(F)(F)CC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C11H15F2N5/c12-11(13)3-1-7(2-4-11)9(15)18-6-5-17-8(14)10(18)16/h5-7,15-16H,1-4H2,(H2,14,17)/b15-9+,16-10+
InChIKeyWIQDGNYNSIQUJM-KAVGSWPWSA-N
XLogP1.60
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
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 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The IUPAC name of 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (CID 142292829) is 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.
What is the SMILES notation for 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The canonical SMILES for 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is [H]/N=C(\C1CCC(F)(F)CC1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The InChIKey is WIQDGNYNSIQUJM-KAVGSWPWSA-N. The full InChI is InChI=1S/C11H15F2N5/c12-11(13)3-1-7(2-4-11)9(15)18-6-5-17-8(14)10(18)16/h5-7,15-16H,1-4H2,(H2,14,17)/b15-9+,16-10+.
What are the key properties of 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine has a molecular weight of 255.27 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 4-(4,4-difluorocyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is sourced from PubChem (CID 142292829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).