1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine

C16H14N2 — CID 123218507

IUPAC1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)c1c(c3ccccc32)NCCN1
InChIInChI=1S/C16H14N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16/h1-8,17-18H,9-10H2
InChIKeyPZSJGLZUUIUSSK-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.83
Rot. Bonds

About 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine

1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine (PubChem CID 123218507) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine
PubChem CID123218507
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine
SMILESc1ccc2c(c1)c1c(c3ccccc32)NCCN1
InChIInChI=1S/C16H14N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16/h1-8,17-18H,9-10H2
InChIKeyPZSJGLZUUIUSSK-UHFFFAOYSA-N
XLogP3.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine?
The IUPAC name of 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine (CID 123218507) is 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine.
What is the SMILES notation for 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine?
The canonical SMILES for 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine is c1ccc2c(c1)c1c(c3ccccc32)NCCN1.
What is the InChIKey of 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine?
The InChIKey is PZSJGLZUUIUSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-7-13-11(5-1)12-6-2-4-8-14(12)16-15(13)17-9-10-18-16/h1-8,17-18H,9-10H2.
What are the key properties of 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine?
1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine has a molecular weight of 234.30 g/mol, XLogP of 3.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrophenanthro[9,10-b]pyrazine is sourced from PubChem (CID 123218507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).