N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide

C15H14F2N4O2 — CID 137289619

IUPACN-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1NC1CC1)c1cnnc(C(F)F)c1
InChIInChI=1S/C15H14F2N4O2/c16-14(17)13-5-8(7-18-21-13)15(23)20-11-4-3-10(22)6-12(11)19-9-1-2-9/h3-7,9,14,19,22H,1-2H2,(H,20,23)
InChIKeyBSVONFKOOLQIBL-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.95
Rot. Bonds5

About N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide

N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide (PubChem CID 137289619) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide
PubChem CID137289619
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC NameN-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1NC1CC1)c1cnnc(C(F)F)c1
InChIInChI=1S/C15H14F2N4O2/c16-14(17)13-5-8(7-18-21-13)15(23)20-11-4-3-10(22)6-12(11)19-9-1-2-9/h3-7,9,14,19,22H,1-2H2,(H,20,23)
InChIKeyBSVONFKOOLQIBL-UHFFFAOYSA-N
XLogP2.95
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136808408
N-(3-fluoro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136905893
N-(2-amino-5-methoxyphenyl)pyridazine-4-carboxamide
CID 104671408
N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 107697570
N-(2-amino-4-hydroxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107697709
N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 107697710
N-(2-amino-5-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 112737413
N-(2-amino-4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 113990701
N-(3-hydroxyphenyl)pyridazine-4-carboxamide
CID 115777355
N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 136813878
N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136813886
N-(2-amino-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136927541

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide (CID 137289619) is N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide is O=C(Nc1ccc(O)cc1NC1CC1)c1cnnc(C(F)F)c1.
What is the InChIKey of N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide?
The InChIKey is BSVONFKOOLQIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-14(17)13-5-8(7-18-21-13)15(23)20-11-4-3-10(22)6-12(11)19-9-1-2-9/h3-7,9,14,19,22H,1-2H2,(H,20,23).
What are the key properties of N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide?
N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide has a molecular weight of 320.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 137289619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).