2-amino-6-(1H-indazol-5-yliminomethyl)phenol

C14H12N4O — CID 137144974

IUPAC2-amino-6-(1H-indazol-5-yliminomethyl)phenol
SMILESNc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C14H12N4O/c15-12-3-1-2-9(14(12)19)7-16-11-4-5-13-10(6-11)8-17-18-13/h1-8,19H,15H2,(H,17,18)/b16-7+
InChIKeyXLCJYXQMRWANBN-FRKPEAEDSA-N
MW252.28 g/mol
LogP2.60
Rot. Bonds2

About 2-amino-6-(1H-indazol-5-yliminomethyl)phenol

2-amino-6-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 137144974) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-amino-6-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-amino-6-(1H-indazol-5-yliminomethyl)phenol
PubChem CID137144974
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-amino-6-(1H-indazol-5-yliminomethyl)phenol
SMILESNc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C14H12N4O/c15-12-3-1-2-9(14(12)19)7-16-11-4-5-13-10(6-11)8-17-18-13/h1-8,19H,15H2,(H,17,18)/b16-7+
InChIKeyXLCJYXQMRWANBN-FRKPEAEDSA-N
XLogP2.60
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 2-amino-6-(1H-indazol-5-yliminomethyl)phenol (CID 137144974) is 2-amino-6-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 2-amino-6-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 2-amino-6-(1H-indazol-5-yliminomethyl)phenol is Nc1cccc(/C=N/c2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 2-amino-6-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is XLCJYXQMRWANBN-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H12N4O/c15-12-3-1-2-9(14(12)19)7-16-11-4-5-13-10(6-11)8-17-18-13/h1-8,19H,15H2,(H,17,18)/b16-7+.
What are the key properties of 2-amino-6-(1H-indazol-5-yliminomethyl)phenol?
2-amino-6-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 252.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 137144974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).