phenazine-2,3,7-triamine

C12H11N5 — CID 13244876

IUPACphenazine-2,3,7-triamine
SMILESNc1ccc2nc3cc(N)c(N)cc3nc2c1
InChIInChI=1S/C12H11N5/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H,13-15H2
InChIKeyNPSHKYRLDHUWLW-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.53
Rot. Bonds

About phenazine-2,3,7-triamine

phenazine-2,3,7-triamine (PubChem CID 13244876) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is phenazine-2,3,7-triamine.

Molecular Properties

Compound Namephenazine-2,3,7-triamine
PubChem CID13244876
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Namephenazine-2,3,7-triamine
SMILESNc1ccc2nc3cc(N)c(N)cc3nc2c1
InChIInChI=1S/C12H11N5/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H,13-15H2
InChIKeyNPSHKYRLDHUWLW-UHFFFAOYSA-N
XLogP1.53
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenazine-2,3,7-triamine?
The IUPAC name of phenazine-2,3,7-triamine (CID 13244876) is phenazine-2,3,7-triamine.
What is the SMILES notation for phenazine-2,3,7-triamine?
The canonical SMILES for phenazine-2,3,7-triamine is Nc1ccc2nc3cc(N)c(N)cc3nc2c1.
What is the InChIKey of phenazine-2,3,7-triamine?
The InChIKey is NPSHKYRLDHUWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H,13-15H2.
What are the key properties of phenazine-2,3,7-triamine?
phenazine-2,3,7-triamine has a molecular weight of 225.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-2,3,7-triamine is sourced from PubChem (CID 13244876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).