5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine

C19H19N5 — CID 90784227

IUPAC5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine
SMILESCc1cc(N)c(Nc2ccccc2/N=N\c2ccccc2)cc1N
InChIInChI=1S/C19H19N5/c1-13-11-16(21)19(12-15(13)20)22-17-9-5-6-10-18(17)24-23-14-7-3-2-4-8-14/h2-12,22H,20-21H2,1H3/b24-23-
InChIKeyQCBJLQAFUNUVQP-VHXPQNKSSA-N
MW317.40 g/mol
LogP5.32
Rot. Bonds4

About 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine

5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine (PubChem CID 90784227) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine
PubChem CID90784227
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine
SMILESCc1cc(N)c(Nc2ccccc2/N=N\c2ccccc2)cc1N
InChIInChI=1S/C19H19N5/c1-13-11-16(21)19(12-15(13)20)22-17-9-5-6-10-18(17)24-23-14-7-3-2-4-8-14/h2-12,22H,20-21H2,1H3/b24-23-
InChIKeyQCBJLQAFUNUVQP-VHXPQNKSSA-N
XLogP5.32
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.40
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine?
The IUPAC name of 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine (CID 90784227) is 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine.
What is the SMILES notation for 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine?
The canonical SMILES for 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine is Cc1cc(N)c(Nc2ccccc2/N=N\c2ccccc2)cc1N.
What is the InChIKey of 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine?
The InChIKey is QCBJLQAFUNUVQP-VHXPQNKSSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-11-16(21)19(12-15(13)20)22-17-9-5-6-10-18(17)24-23-14-7-3-2-4-8-14/h2-12,22H,20-21H2,1H3/b24-23-.
What are the key properties of 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine?
5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine has a molecular weight of 317.40 g/mol, XLogP of 5.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-(2-phenyldiazenylphenyl)benzene-1,2,4-triamine is sourced from PubChem (CID 90784227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).