1,3,4-trimethylphenazin-2-amine;hydrochloride

C15H16ClN3 — CID 69198812

IUPAC1,3,4-trimethylphenazin-2-amine;hydrochloride
SMILESCc1c(N)c(C)c2nc3ccccc3nc2c1C.Cl
InChIInChI=1S/C15H15N3.ClH/c1-8-9(2)14-15(10(3)13(8)16)18-12-7-5-4-6-11(12)17-14;/h4-7H,16H2,1-3H3;1H
InChIKeyPJPOKWKBZZXRMT-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.71
Rot. Bonds

About 1,3,4-trimethylphenazin-2-amine;hydrochloride

1,3,4-trimethylphenazin-2-amine;hydrochloride (PubChem CID 69198812) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 1,3,4-trimethylphenazin-2-amine;hydrochloride.

Molecular Properties

Compound Name1,3,4-trimethylphenazin-2-amine;hydrochloride
PubChem CID69198812
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name1,3,4-trimethylphenazin-2-amine;hydrochloride
SMILESCc1c(N)c(C)c2nc3ccccc3nc2c1C.Cl
InChIInChI=1S/C15H15N3.ClH/c1-8-9(2)14-15(10(3)13(8)16)18-12-7-5-4-6-11(12)17-14;/h4-7H,16H2,1-3H3;1H
InChIKeyPJPOKWKBZZXRMT-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,3,4-trimethylphenazin-2-amine;hydrochloride?
The IUPAC name of 1,3,4-trimethylphenazin-2-amine;hydrochloride (CID 69198812) is 1,3,4-trimethylphenazin-2-amine;hydrochloride.
What is the SMILES notation for 1,3,4-trimethylphenazin-2-amine;hydrochloride?
The canonical SMILES for 1,3,4-trimethylphenazin-2-amine;hydrochloride is Cc1c(N)c(C)c2nc3ccccc3nc2c1C.Cl.
What is the InChIKey of 1,3,4-trimethylphenazin-2-amine;hydrochloride?
The InChIKey is PJPOKWKBZZXRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.ClH/c1-8-9(2)14-15(10(3)13(8)16)18-12-7-5-4-6-11(12)17-14;/h4-7H,16H2,1-3H3;1H.
What are the key properties of 1,3,4-trimethylphenazin-2-amine;hydrochloride?
1,3,4-trimethylphenazin-2-amine;hydrochloride has a molecular weight of 273.77 g/mol, XLogP of 3.71, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylphenazin-2-amine;hydrochloride is sourced from PubChem (CID 69198812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).