8-N,3-dimethylphenazine-2,8-diamine;hydrochloride

C14H15ClN4 — CID 141272932

IUPAC8-N,3-dimethylphenazine-2,8-diamine;hydrochloride
SMILESCNc1ccc2nc3cc(C)c(N)cc3nc2c1.Cl
InChIInChI=1S/C14H14N4.ClH/c1-8-5-12-14(7-10(8)15)18-13-6-9(16-2)3-4-11(13)17-12;/h3-7,16H,15H2,1-2H3;1H
InChIKeyBYTAPOJQCXUXKH-UHFFFAOYSA-N
MW274.76 g/mol
LogP3.14
Rot. Bonds1

About 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride

8-N,3-dimethylphenazine-2,8-diamine;hydrochloride (PubChem CID 141272932) has the molecular formula C14H15ClN4 and a molecular weight of 274.76 g/mol. Its IUPAC name is 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride.

Molecular Properties

Compound Name8-N,3-dimethylphenazine-2,8-diamine;hydrochloride
PubChem CID141272932
Molecular FormulaC14H15ClN4
Molecular Weight274.76 g/mol
Exact Mass274.10
IUPAC Name8-N,3-dimethylphenazine-2,8-diamine;hydrochloride
SMILESCNc1ccc2nc3cc(C)c(N)cc3nc2c1.Cl
InChIInChI=1S/C14H14N4.ClH/c1-8-5-12-14(7-10(8)15)18-13-6-9(16-2)3-4-11(13)17-12;/h3-7,16H,15H2,1-2H3;1H
InChIKeyBYTAPOJQCXUXKH-UHFFFAOYSA-N
XLogP3.14
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride?
The IUPAC name of 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride (CID 141272932) is 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride.
What is the SMILES notation for 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride?
The canonical SMILES for 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride is CNc1ccc2nc3cc(C)c(N)cc3nc2c1.Cl.
What is the InChIKey of 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride?
The InChIKey is BYTAPOJQCXUXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4.ClH/c1-8-5-12-14(7-10(8)15)18-13-6-9(16-2)3-4-11(13)17-12;/h3-7,16H,15H2,1-2H3;1H.
What are the key properties of 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride?
8-N,3-dimethylphenazine-2,8-diamine;hydrochloride has a molecular weight of 274.76 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,3-dimethylphenazine-2,8-diamine;hydrochloride is sourced from PubChem (CID 141272932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).