N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

C13H14N4O2 — CID 136813886

IUPACN-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)cc2N)c(C)nn1
InChIInChI=1S/C13H14N4O2/c1-7-5-10(8(2)17-16-7)13(19)15-12-4-3-9(18)6-11(12)14/h3-6,18H,14H2,1-2H3,(H,15,19)
InChIKeyRDXPIOBOEMBQAJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.63
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 136813886) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID136813886
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(O)cc2N)c(C)nn1
InChIInChI=1S/C13H14N4O2/c1-7-5-10(8(2)17-16-7)13(19)15-12-4-3-9(18)6-11(12)14/h3-6,18H,14H2,1-2H3,(H,15,19)
InChIKeyRDXPIOBOEMBQAJ-UHFFFAOYSA-N
XLogP1.63
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 136813886) is N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(O)cc2N)c(C)nn1.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is RDXPIOBOEMBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7-5-10(8(2)17-16-7)13(19)15-12-4-3-9(18)6-11(12)14/h3-6,18H,14H2,1-2H3,(H,15,19).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(2-amino-4-hydroxyphenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.63, 2 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)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 136813886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).