2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol

C13H13N3O — CID 137029444

IUPAC2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1CC1
InChIInChI=1S/C13H13N3O/c14-13-10(8-5-6-8)7-11(15-16-13)9-3-1-2-4-12(9)17/h1-4,7-8,17H,5-6H2,(H2,14,16)
InChIKeySPQFKAUBHXPELH-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.31
Rot. Bonds2

About 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol

2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol (PubChem CID 137029444) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol
PubChem CID137029444
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1CC1
InChIInChI=1S/C13H13N3O/c14-13-10(8-5-6-8)7-11(15-16-13)9-3-1-2-4-12(9)17/h1-4,7-8,17H,5-6H2,(H2,14,16)
InChIKeySPQFKAUBHXPELH-UHFFFAOYSA-N
XLogP2.31
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
Smarca2/4-IN-2
CID 136145607
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
US10308614, Example 232
CID 137029433
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
Phenol, 4-(6-amino-5-methyl-3-pyridazinyl)-, monohydrochloride
CID 135770315
2-(6-(Methylamino)pyridazin-3-yl)phenol
CID 136145557
US10308614, Example 189
CID 137029365
US10308614, Example 210
CID 137029376
US10308614, Example 213
CID 137029389

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol?
The IUPAC name of 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol (CID 137029444) is 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol is Nc1nnc(-c2ccccc2O)cc1C1CC1.
What is the InChIKey of 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol?
The InChIKey is SPQFKAUBHXPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-13-10(8-5-6-8)7-11(15-16-13)9-3-1-2-4-12(9)17/h1-4,7-8,17H,5-6H2,(H2,14,16).
What are the key properties of 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol?
2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol has a molecular weight of 227.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-cyclopropylpyridazin-3-yl)phenol is sourced from PubChem (CID 137029444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).