5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one

C17H20ClN3O2 — CID 133272314

IUPAC5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
SMILESCc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CCOCC1
InChIInChI=1S/C17H20ClN3O2/c1-12-4-2-3-5-13(12)17(6-8-23-9-7-17)11-19-14-10-20-21-16(22)15(14)18/h2-5,10H,6-9,11H2,1H3,(H2,19,21,22)
InChIKeyVLIMFEHDBDTDOG-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.89
Rot. Bonds4

About 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one (PubChem CID 133272314) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
PubChem CID133272314
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
SMILESCc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CCOCC1
InChIInChI=1S/C17H20ClN3O2/c1-12-4-2-3-5-13(12)17(6-8-23-9-7-17)11-19-14-10-20-21-16(22)15(14)18/h2-5,10H,6-9,11H2,1H3,(H2,19,21,22)
InChIKeyVLIMFEHDBDTDOG-UHFFFAOYSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
CID 133272354
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyridazin-6-one
CID 103742941
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
5-chloro-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-1H-pyridazin-6-one
CID 79479518
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
5-chloro-4-[(1-methoxycyclobutyl)methylamino]-1H-pyridazin-6-one
CID 103989620
N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 133298695
2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000509
5-chloro-4-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methylamino]-1H-pyridazin-6-one
CID 97055627
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133272336
5-chloro-4-(methylamino)-1H-pyridazin-6-one;oxane
CID 168964036
1,3-dimethyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-4-nitropyrazol-5-amine
CID 71937496

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one (CID 133272314) is 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one is Cc1ccccc1C1(CNc2cn[nH]c(=O)c2Cl)CCOCC1.
What is the InChIKey of 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one?
The InChIKey is VLIMFEHDBDTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-4-2-3-5-13(12)17(6-8-23-9-7-17)11-19-14-10-20-21-16(22)15(14)18/h2-5,10H,6-9,11H2,1H3,(H2,19,21,22).
What are the key properties of 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one has a molecular weight of 333.82 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133272314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).