N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C14H16N4O2 — CID 136813878

IUPACN-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C14H16N4O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-13-5-4-9(19)7-11(13)15/h4-7,19H,3,15H2,1-2H3,(H,16,20)
InChIKeyMSQMHSHZQRWIOM-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.89
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 136813878) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID136813878
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C14H16N4O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-13-5-4-9(19)7-11(13)15/h4-7,19H,3,15H2,1-2H3,(H,16,20)
InChIKeyMSQMHSHZQRWIOM-UHFFFAOYSA-N
XLogP1.89
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide
CID 137289619
3-ethyl-N-(2-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 136869131
N-(3-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136905894
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 136905895
N-(2-fluoro-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 136905896
3-ethyl-N-(3-hydroxyphenyl)-6-methylpyridazine-4-carboxamide
CID 104625458
3-ethyl-N-(3-hydroxy-4-methylphenyl)-6-methylpyridazine-4-carboxamide
CID 104625691
N-(2-amino-4-methoxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104669026
N-(2-amino-4-methoxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669028
N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104669155
N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104669156
N-(4-hydroxyphenyl)-N,3,6-trimethylpyridazine-4-carboxamide
CID 104670806

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 136813878) is N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)Nc1ccc(O)cc1N.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is MSQMHSHZQRWIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-12-10(6-8(2)17-18-12)14(20)16-13-5-4-9(19)7-11(13)15/h4-7,19H,3,15H2,1-2H3,(H,16,20).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 136813878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).