N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide

C15H18N4O2 — CID 104669156

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H18N4O2/c1-3-13-12(6-9(2)18-19-13)15(21)17-8-10-7-11(16)4-5-14(10)20/h4-7,20H,3,8,16H2,1-2H3,(H,17,21)
InChIKeyYGRHVGMNXHRNFI-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.57
Rot. Bonds4

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

N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104669156) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104669156
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H18N4O2/c1-3-13-12(6-9(2)18-19-13)15(21)17-8-10-7-11(16)4-5-14(10)20/h4-7,20H,3,8,16H2,1-2H3,(H,17,21)
InChIKeyYGRHVGMNXHRNFI-UHFFFAOYSA-N
XLogP1.57
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.57
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104669156) is N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is YGRHVGMNXHRNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-13-12(6-9(2)18-19-13)15(21)17-8-10-7-11(16)4-5-14(10)20/h4-7,20H,3,8,16H2,1-2H3,(H,17,21).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.57, 4 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-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104669156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).