4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

C11H17N5 — CID 142292883

IUPAC4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CCCCC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C11H17N5/c12-9-11(14)16(7-6-15-9)10(13)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2,(H2,12,15)/b13-10+,14-11+
InChIKeyHELUFLCQRHZSCS-IFQMDVHZSA-N
MW219.29 g/mol
LogP1.35
Rot. Bonds1

About 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine

4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (PubChem CID 142292883) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.

Molecular Properties

Compound Name4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
PubChem CID142292883
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine
SMILES[H]/N=C(\C1CCCCC1)n1ccnc(N)/c1=N\[H]
InChIInChI=1S/C11H17N5/c12-9-11(14)16(7-6-15-9)10(13)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2,(H2,12,15)/b13-10+,14-11+
InChIKeyHELUFLCQRHZSCS-IFQMDVHZSA-N
XLogP1.35
TPSA91.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.35
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-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The IUPAC name of 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine (CID 142292883) is 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine.
What is the SMILES notation for 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The canonical SMILES for 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is [H]/N=C(\C1CCCCC1)n1ccnc(N)/c1=N\[H].
What is the InChIKey of 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
The InChIKey is HELUFLCQRHZSCS-IFQMDVHZSA-N. The full InChI is InChI=1S/C11H17N5/c12-9-11(14)16(7-6-15-9)10(13)8-4-2-1-3-5-8/h6-8,13-14H,1-5H2,(H2,12,15)/b13-10+,14-11+.
What are the key properties of 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine?
4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.35, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarboximidoyl)-3-iminopyrazin-2-amine is sourced from PubChem (CID 142292883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).