1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol

C14H12N6O2 — CID 163624701

IUPAC1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol
SMILESCc1nc(N)nc(/N=N/c2c(O)ccc3ccc(O)cc23)n1
InChIInChI=1S/C14H12N6O2/c1-7-16-13(15)18-14(17-7)20-19-12-10-6-9(21)4-2-8(10)3-5-11(12)22/h2-6,21-22H,1H3,(H2,15,16,17,18)/b20-19+
InChIKeyMMSLPYUTPFMGGV-FMQUCBEESA-N
MW296.29 g/mol
LogP2.74
Rot. Bonds2

About 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol

1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol (PubChem CID 163624701) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol.

Molecular Properties

Compound Name1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol
PubChem CID163624701
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol
SMILESCc1nc(N)nc(/N=N/c2c(O)ccc3ccc(O)cc23)n1
InChIInChI=1S/C14H12N6O2/c1-7-16-13(15)18-14(17-7)20-19-12-10-6-9(21)4-2-8(10)3-5-11(12)22/h2-6,21-22H,1H3,(H2,15,16,17,18)/b20-19+
InChIKeyMMSLPYUTPFMGGV-FMQUCBEESA-N
XLogP2.74
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol?
The IUPAC name of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol (CID 163624701) is 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol.
What is the SMILES notation for 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol?
The canonical SMILES for 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol is Cc1nc(N)nc(/N=N/c2c(O)ccc3ccc(O)cc23)n1.
What is the InChIKey of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol?
The InChIKey is MMSLPYUTPFMGGV-FMQUCBEESA-N. The full InChI is InChI=1S/C14H12N6O2/c1-7-16-13(15)18-14(17-7)20-19-12-10-6-9(21)4-2-8(10)3-5-11(12)22/h2-6,21-22H,1H3,(H2,15,16,17,18)/b20-19+.
What are the key properties of 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol?
1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol has a molecular weight of 296.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methyl-1,3,5-triazin-2-yl)diazenyl]naphthalene-2,7-diol is sourced from PubChem (CID 163624701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).