4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one

C16H25ClN4O2 — CID 133376432

IUPAC4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCN(C3CCCCC3O)CC2)c(Cl)c1=O
InChIInChI=1S/C16H25ClN4O2/c1-20-16(23)15(17)12(10-18-20)19-11-6-8-21(9-7-11)13-4-2-3-5-14(13)22/h10-11,13-14,19,22H,2-9H2,1H3
InChIKeyDHSQINXHLNUFTQ-UHFFFAOYSA-N
MW340.86 g/mol
LogP1.61
Rot. Bonds3

About 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one (PubChem CID 133376432) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
PubChem CID133376432
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2CCN(C3CCCCC3O)CC2)c(Cl)c1=O
InChIInChI=1S/C16H25ClN4O2/c1-20-16(23)15(17)12(10-18-20)19-11-6-8-21(9-7-11)13-4-2-3-5-14(13)22/h10-11,13-14,19,22H,2-9H2,1H3
InChIKeyDHSQINXHLNUFTQ-UHFFFAOYSA-N
XLogP1.61
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one with MolForge

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Related Compounds

4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-5-[(2-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 115611062
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133376491
4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
CID 103704352
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
CID 115657637
4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
CID 115613233

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one (CID 133376432) is 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one is Cn1ncc(NC2CCN(C3CCCCC3O)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one?
The InChIKey is DHSQINXHLNUFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN4O2/c1-20-16(23)15(17)12(10-18-20)19-11-6-8-21(9-7-11)13-4-2-3-5-14(13)22/h10-11,13-14,19,22H,2-9H2,1H3.
What are the key properties of 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one has a molecular weight of 340.86 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133376432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).