6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine

C12H13N5 — CID 59318639

IUPAC6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine
SMILESCc1ccc(/N=N/Nc2ccc(C)nc2)cn1
InChIInChI=1S/C12H13N5/c1-9-3-5-11(7-13-9)15-17-16-12-6-4-10(2)14-8-12/h3-8H,1-2H3,(H,15,16)
InChIKeyUXLSSBJOJTXNER-UHFFFAOYSA-N
MW227.27 g/mol
LogP3.20
Rot. Bonds3

About 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine

6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine (PubChem CID 59318639) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine
PubChem CID59318639
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine
SMILESCc1ccc(/N=N/Nc2ccc(C)nc2)cn1
InChIInChI=1S/C12H13N5/c1-9-3-5-11(7-13-9)15-17-16-12-6-4-10(2)14-8-12/h3-8H,1-2H3,(H,15,16)
InChIKeyUXLSSBJOJTXNER-UHFFFAOYSA-N
XLogP3.20
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_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 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine?
The IUPAC name of 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine (CID 59318639) is 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine is Cc1ccc(/N=N/Nc2ccc(C)nc2)cn1.
What is the InChIKey of 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine?
The InChIKey is UXLSSBJOJTXNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-9-3-5-11(7-13-9)15-17-16-12-6-4-10(2)14-8-12/h3-8H,1-2H3,(H,15,16).
What are the key properties of 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine?
6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine has a molecular weight of 227.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(6-methyl-3-pyridinyl)diazenyl]pyridin-3-amine is sourced from PubChem (CID 59318639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).