3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol

C16H12N4O — CID 135521769

IUPAC3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H12N4O/c21-16-13(12-3-1-2-4-14(12)19-16)9-17-11-6-5-10-8-18-20-15(10)7-11/h1-9,19,21H,(H,18,20)/b17-9+
InChIKeyDEDNNQFZYPWQCK-RQZCQDPDSA-N
MW276.30 g/mol
LogP3.50
Rot. Bonds2

About 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol

3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol (PubChem CID 135521769) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
PubChem CID135521769
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/c1ccc2cn[nH]c2c1
InChIInChI=1S/C16H12N4O/c21-16-13(12-3-1-2-4-14(12)19-16)9-17-11-6-5-10-8-18-20-15(10)7-11/h1-9,19,21H,(H,18,20)/b17-9+
InChIKeyDEDNNQFZYPWQCK-RQZCQDPDSA-N
XLogP3.50
TPSA77.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
The IUPAC name of 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol (CID 135521769) is 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/c1ccc2cn[nH]c2c1.
What is the InChIKey of 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
The InChIKey is DEDNNQFZYPWQCK-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H12N4O/c21-16-13(12-3-1-2-4-14(12)19-16)9-17-11-6-5-10-8-18-20-15(10)7-11/h1-9,19,21H,(H,18,20)/b17-9+.
What are the key properties of 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol?
3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-6-yliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 135521769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).