6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol

C17H17N3O — CID 122544238

IUPAC6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol
SMILESNc1nnc(C2C=CC=CC2O)cc1Cc1ccccc1
InChIInChI=1S/C17H17N3O/c18-17-13(10-12-6-2-1-3-7-12)11-15(19-20-17)14-8-4-5-9-16(14)21/h1-9,11,14,16,21H,10H2,(H2,18,20)
InChIKeyWDCCQPQUGWSJKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.22
Rot. Bonds3

About 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol

6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol (PubChem CID 122544238) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol
PubChem CID122544238
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol
SMILESNc1nnc(C2C=CC=CC2O)cc1Cc1ccccc1
InChIInChI=1S/C17H17N3O/c18-17-13(10-12-6-2-1-3-7-12)11-15(19-20-17)14-8-4-5-9-16(14)21/h1-9,11,14,16,21H,10H2,(H2,18,20)
InChIKeyWDCCQPQUGWSJKO-UHFFFAOYSA-N
XLogP2.22
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
US10308614, Example 210
CID 137029376
US10308614, Example 213
CID 137029389
US10308614, Example 201
CID 137029442
US10308614, Example 190
CID 137029444
2-(6-amino-5-((1,4-trans)-4-methylcyclohexyl)pyridazin-3-yl)phenol and Cis-2-(6-amino-5-((1,4-cis-4-methylcyclohexyl)pyridazin-3-yl)phenol
CID 137029474
2-(6-Amino-5-(trans-2-phenylcyclopropyl)pyridazin-3-yl)phenol
CID 137045918
2-(6-Amino-5-cyclohexylpyridazin-3-yl)phenol
CID 137045919
2-(6-Amino-5-benzylpyridazin-3-yl)phenol
CID 137045941
US10308614, Example 200
CID 137045942
(1S,2S)-3-fluoro-2-methyl-1-[4-(6-methylpyridazin-3-yl)phenyl]propan-1-ol
CID 149104383
6-(5-Fluoro-6-methoxycyclohexa-1,5-dien-1-yl)-4-phenylpyridazin-3-amine
CID 164155977

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol (CID 122544238) is 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol is Nc1nnc(C2C=CC=CC2O)cc1Cc1ccccc1.
What is the InChIKey of 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol?
The InChIKey is WDCCQPQUGWSJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-17-13(10-12-6-2-1-3-7-12)11-15(19-20-17)14-8-4-5-9-16(14)21/h1-9,11,14,16,21H,10H2,(H2,18,20).
What are the key properties of 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol?
6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol has a molecular weight of 279.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-5-benzylpyridazin-3-yl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 122544238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).