4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one

C14H22ClN3O2 — CID 106362138

IUPAC4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC2CCCC2CO)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-9(2)7-18-14(20)13(15)12(6-16-18)17-11-5-3-4-10(11)8-19/h6,9-11,17,19H,3-5,7-8H2,1-2H3
InChIKeyQDHCVJFMDNDMAF-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 106362138) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID106362138
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC2CCCC2CO)c(Cl)c1=O
InChIInChI=1S/C14H22ClN3O2/c1-9(2)7-18-14(20)13(15)12(6-16-18)17-11-5-3-4-10(11)8-19/h6,9-11,17,19H,3-5,7-8H2,1-2H3
InChIKeyQDHCVJFMDNDMAF-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114445903
4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439142
4-chloro-5-[(3-ethyl-2-methylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439163
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114432474
4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106258520
4-chloro-5-[(3-ethylcyclohexyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439073
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
5-[[2-(aminomethyl)cyclopentyl]amino]-4-chloro-2-prop-2-enylpyridazin-3-one
CID 114445881
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-propylpyridazin-3-one
CID 106361979
4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114437168

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one (CID 106362138) is 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC2CCCC2CO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is QDHCVJFMDNDMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-9(2)7-18-14(20)13(15)12(6-16-18)17-11-5-3-4-10(11)8-19/h6,9-11,17,19H,3-5,7-8H2,1-2H3.
What are the key properties of 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 299.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 106362138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).