N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine

C13H14N4 — CID 78995474

IUPACN-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine
SMILESC1=CCC(Nc2ccc3nccnc3n2)CC1
InChIInChI=1S/C13H14N4/c1-2-4-10(5-3-1)16-12-7-6-11-13(17-12)15-9-8-14-11/h1-2,6-10H,3-5H2,(H,15,16,17)
InChIKeyLUEXZOAALBMOIE-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.55
Rot. Bonds2

About N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine

N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine (PubChem CID 78995474) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine
PubChem CID78995474
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC NameN-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine
SMILESC1=CCC(Nc2ccc3nccnc3n2)CC1
InChIInChI=1S/C13H14N4/c1-2-4-10(5-3-1)16-12-7-6-11-13(17-12)15-9-8-14-11/h1-2,6-10H,3-5H2,(H,15,16,17)
InChIKeyLUEXZOAALBMOIE-UHFFFAOYSA-N
XLogP2.55
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine?
The IUPAC name of N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine (CID 78995474) is N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine.
What is the SMILES notation for N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine?
The canonical SMILES for N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine is C1=CCC(Nc2ccc3nccnc3n2)CC1.
What is the InChIKey of N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine?
The InChIKey is LUEXZOAALBMOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-4-10(5-3-1)16-12-7-6-11-13(17-12)15-9-8-14-11/h1-2,6-10H,3-5H2,(H,15,16,17).
What are the key properties of N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine?
N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine has a molecular weight of 226.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-ylpyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 78995474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).