5-nitro-7H-cyclohepta[b]pyrazin-6-amine

C9H8N4O2 — CID 134312134

IUPAC5-nitro-7H-cyclohepta[b]pyrazin-6-amine
SMILESNC1=C([N+](=O)[O-])c2nccnc2C=CC1
InChIInChI=1S/C9H8N4O2/c10-6-2-1-3-7-8(9(6)13(14)15)12-5-4-11-7/h1,3-5H,2,10H2
InChIKeyJUOCSNGLUXVQDQ-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.80
Rot. Bonds1

About 5-nitro-7H-cyclohepta[b]pyrazin-6-amine

5-nitro-7H-cyclohepta[b]pyrazin-6-amine (PubChem CID 134312134) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-nitro-7H-cyclohepta[b]pyrazin-6-amine.

Molecular Properties

Compound Name5-nitro-7H-cyclohepta[b]pyrazin-6-amine
PubChem CID134312134
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name5-nitro-7H-cyclohepta[b]pyrazin-6-amine
SMILESNC1=C([N+](=O)[O-])c2nccnc2C=CC1
InChIInChI=1S/C9H8N4O2/c10-6-2-1-3-7-8(9(6)13(14)15)12-5-4-11-7/h1,3-5H,2,10H2
InChIKeyJUOCSNGLUXVQDQ-UHFFFAOYSA-N
XLogP0.80
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-7H-cyclohepta[b]pyrazin-6-amine?
The IUPAC name of 5-nitro-7H-cyclohepta[b]pyrazin-6-amine (CID 134312134) is 5-nitro-7H-cyclohepta[b]pyrazin-6-amine.
What is the SMILES notation for 5-nitro-7H-cyclohepta[b]pyrazin-6-amine?
The canonical SMILES for 5-nitro-7H-cyclohepta[b]pyrazin-6-amine is NC1=C([N+](=O)[O-])c2nccnc2C=CC1.
What is the InChIKey of 5-nitro-7H-cyclohepta[b]pyrazin-6-amine?
The InChIKey is JUOCSNGLUXVQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-6-2-1-3-7-8(9(6)13(14)15)12-5-4-11-7/h1,3-5H,2,10H2.
What are the key properties of 5-nitro-7H-cyclohepta[b]pyrazin-6-amine?
5-nitro-7H-cyclohepta[b]pyrazin-6-amine has a molecular weight of 204.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-7H-cyclohepta[b]pyrazin-6-amine is sourced from PubChem (CID 134312134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).