1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol

C17H13N5O — CID 165352937

IUPAC1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol
SMILESCn1nnc2ccc(/N=N/c3c(O)ccc4ccccc34)cc21
InChIInChI=1S/C17H13N5O/c1-22-15-10-12(7-8-14(15)19-21-22)18-20-17-13-5-3-2-4-11(13)6-9-16(17)23/h2-10,23H,1H3/b20-18+
InChIKeyFHVUQJDNHLPICS-CZIZESTLSA-N
MW303.33 g/mol
LogP4.24
Rot. Bonds2

About 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol

1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol (PubChem CID 165352937) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol
PubChem CID165352937
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol
SMILESCn1nnc2ccc(/N=N/c3c(O)ccc4ccccc34)cc21
InChIInChI=1S/C17H13N5O/c1-22-15-10-12(7-8-14(15)19-21-22)18-20-17-13-5-3-2-4-11(13)6-9-16(17)23/h2-10,23H,1H3/b20-18+
InChIKeyFHVUQJDNHLPICS-CZIZESTLSA-N
XLogP4.24
TPSA75.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol (CID 165352937) is 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol is Cn1nnc2ccc(/N=N/c3c(O)ccc4ccccc34)cc21.
What is the InChIKey of 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol?
The InChIKey is FHVUQJDNHLPICS-CZIZESTLSA-N. The full InChI is InChI=1S/C17H13N5O/c1-22-15-10-12(7-8-14(15)19-21-22)18-20-17-13-5-3-2-4-11(13)6-9-16(17)23/h2-10,23H,1H3/b20-18+.
What are the key properties of 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol?
1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol has a molecular weight of 303.33 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylbenzotriazol-5-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 165352937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).