3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one

C14H17N3O2 — CID 82420041

IUPAC3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
SMILESCCOc1ccc(-n2nc(CN)c(=O)cc2C)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-12-6-4-11(5-7-12)17-10(2)8-14(18)13(9-15)16-17/h4-8H,3,9,15H2,1-2H3
InChIKeyHUQPNTHULRGAAW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.40
Rot. Bonds4

About 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one

3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one (PubChem CID 82420041) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
PubChem CID82420041
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one
SMILESCCOc1ccc(-n2nc(CN)c(=O)cc2C)cc1
InChIInChI=1S/C14H17N3O2/c1-3-19-12-6-4-11(5-7-12)17-10(2)8-14(18)13(9-15)16-17/h4-8H,3,9,15H2,1-2H3
InChIKeyHUQPNTHULRGAAW-UHFFFAOYSA-N
XLogP1.40
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-1-(4-bromophenyl)-6-methylpyridazin-4-one
CID 82419304
3-(aminomethyl)-1-(4-fluorophenyl)-6-methylpyridazin-4-one
CID 82421897
1-(4-ethoxyphenyl)-3-(2-hydroxypropan-2-yl)-6-methylpyridazin-4-one
CID 82420042
1-(4-ethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbohydrazide
CID 82420049
3-(aminomethyl)-1-(2,6-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420285
3-(aminomethyl)-1-(2,4-dichlorophenyl)-6-methylpyridazin-4-one
CID 82419280
3-(aminomethyl)-1-(2,4-difluorophenyl)-6-methylpyridazin-4-one
CID 82421541
[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82196030
3-(6-methyl-4-oxo-1-phenylpyridazin-3-yl)propanoic acid
CID 82419815
5-acetyl-1-(4-ethoxyphenyl)-2-methylpyridin-4-one
CID 82420020
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one (CID 82420041) is 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one is CCOc1ccc(-n2nc(CN)c(=O)cc2C)cc1.
What is the InChIKey of 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one?
The InChIKey is HUQPNTHULRGAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-12-6-4-11(5-7-12)17-10(2)8-14(18)13(9-15)16-17/h4-8H,3,9,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one?
3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-ethoxyphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).