1H-pyrrolo[2,3-d]pyridazin-3-ol

C6H5N3O — CID 162789146

IUPAC1H-pyrrolo[2,3-d]pyridazin-3-ol
SMILESOc1c[nH]c2cnncc12
InChIInChI=1S/C6H5N3O/c10-6-3-7-5-2-9-8-1-4(5)6/h1-3,7,10H
InChIKeyFCYOFHNDWBXJBP-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.66
Rot. Bonds

About 1H-pyrrolo[2,3-d]pyridazin-3-ol

1H-pyrrolo[2,3-d]pyridazin-3-ol (PubChem CID 162789146) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-d]pyridazin-3-ol.

Molecular Properties

Compound Name1H-pyrrolo[2,3-d]pyridazin-3-ol
PubChem CID162789146
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name1H-pyrrolo[2,3-d]pyridazin-3-ol
SMILESOc1c[nH]c2cnncc12
InChIInChI=1S/C6H5N3O/c10-6-3-7-5-2-9-8-1-4(5)6/h1-3,7,10H
InChIKeyFCYOFHNDWBXJBP-UHFFFAOYSA-N
XLogP0.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-1H-indol-3-ol
CID 90083452
5H-pyrrolo[3,2-d]pyrimidin-7-ol
CID 68714083
potassium;hydride;1H-indol-3-ol;sulfuric acid
CID 173008142
disodium;hydrogen phosphate;1H-indol-3-ol
CID 67341741
1H-pyrrolo[3,2-c]quinolin-3-ol
CID 141121260
6-bromo-1H-indol-3-ol;phosphoric acid
CID 135389689
1H-pyrrolo[2,3-c]pyridin-3-ylboronic acid
CID 52982877
5-bromo-3-methyl-1H-pyrrolo[2,3-c]pyridine;molecular hydrogen
CID 158028586
CID 155716847
CID 155716847
5-fluoro-1H-pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 67546885
5-chloro-6-hydroxy-1H-indole-3-carbaldehyde
CID 123762927
3H-benzo[e]indol-1-ol
CID 69001321

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-d]pyridazin-3-ol?
The IUPAC name of 1H-pyrrolo[2,3-d]pyridazin-3-ol (CID 162789146) is 1H-pyrrolo[2,3-d]pyridazin-3-ol.
What is the SMILES notation for 1H-pyrrolo[2,3-d]pyridazin-3-ol?
The canonical SMILES for 1H-pyrrolo[2,3-d]pyridazin-3-ol is Oc1c[nH]c2cnncc12.
What is the InChIKey of 1H-pyrrolo[2,3-d]pyridazin-3-ol?
The InChIKey is FCYOFHNDWBXJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-3-7-5-2-9-8-1-4(5)6/h1-3,7,10H.
What are the key properties of 1H-pyrrolo[2,3-d]pyridazin-3-ol?
1H-pyrrolo[2,3-d]pyridazin-3-ol has a molecular weight of 135.13 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-d]pyridazin-3-ol is sourced from PubChem (CID 162789146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).