N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide

C14H16N4O2 — CID 104669155

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc(N)ccc2O)c(C)nn1
InChIInChI=1S/C14H16N4O2/c1-8-5-12(9(2)18-17-8)14(20)16-7-10-6-11(15)3-4-13(10)19/h3-6,19H,7,15H2,1-2H3,(H,16,20)
InChIKeyQBBSOSCCIVONEN-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.31
Rot. Bonds3

About N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide

N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669155) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104669155
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cc(N)ccc2O)c(C)nn1
InChIInChI=1S/C14H16N4O2/c1-8-5-12(9(2)18-17-8)14(20)16-7-10-6-11(15)3-4-13(10)19/h3-6,19H,7,15H2,1-2H3,(H,16,20)
InChIKeyQBBSOSCCIVONEN-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-benzyl-6-(2-hydroxyphenyl)pyridazine-4-carboxamide
CID 137045899
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
3,6-dichloro-N-[(2-hydroxyphenyl)methyl]pyridazine-4-carboxamide
CID 108097334
N-[(5-amino-2-hydroxyphenyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 43548610
N-[(5-amino-2-hydroxyphenyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 43548616
N-[(5-amino-2-hydroxyphenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62829726
N-[(5-amino-2-hydroxyphenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 64444693
N-[(5-amino-2-hydroxyphenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 65206205
N-[(5-amino-2-hydroxyphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 65206206

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide (CID 104669155) is N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)NCc2cc(N)ccc2O)c(C)nn1.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is QBBSOSCCIVONEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-5-12(9(2)18-17-8)14(20)16-7-10-6-11(15)3-4-13(10)19/h3-6,19H,7,15H2,1-2H3,(H,16,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).