3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one

C15H16ClN3O2 — CID 82446346

IUPAC3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(CNC3CC3)c(=O)[nH]n2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-21-14-5-2-9(6-12(14)16)13-7-10(15(20)19-18-13)8-17-11-3-4-11/h2,5-7,11,17H,3-4,8H2,1H3,(H,19,20)
InChIKeyBPPOJRZHDBHHNX-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.35
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one

3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one (PubChem CID 82446346) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
PubChem CID82446346
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(CNC3CC3)c(=O)[nH]n2)cc1Cl
InChIInChI=1S/C15H16ClN3O2/c1-21-14-5-2-9(6-12(14)16)13-7-10(15(20)19-18-13)8-17-11-3-4-11/h2,5-7,11,17H,3-4,8H2,1H3,(H,19,20)
InChIKeyBPPOJRZHDBHHNX-UHFFFAOYSA-N
XLogP2.35
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445384
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
5-(1-aminoethyl)-3-(3-chloro-4-methoxyphenyl)-1H-pyridazin-6-one
CID 82446359
[3-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 82049211
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 109379737
4-(3-chloro-4-methoxyphenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 8750909
3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
4-N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165157
N-[(3-chloro-4-methoxyphenyl)methyl]thian-4-amine
CID 115653478
N-[[3-(3-chlorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 62112694

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one (CID 82446346) is 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one is COc1ccc(-c2cc(CNC3CC3)c(=O)[nH]n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one?
The InChIKey is BPPOJRZHDBHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-21-14-5-2-9(6-12(14)16)13-7-10(15(20)19-18-13)8-17-11-3-4-11/h2,5-7,11,17H,3-4,8H2,1H3,(H,19,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one?
3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one has a molecular weight of 305.77 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-5-[(cyclopropylamino)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 82446346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).