5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one

C13H17ClN4O2 — CID 106191871

IUPAC5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESO=C1CC(Nc2c(Cl)cnn(CC3CCC3)c2=O)CN1
InChIInChI=1S/C13H17ClN4O2/c14-10-6-16-18(7-8-2-1-3-8)13(20)12(10)17-9-4-11(19)15-5-9/h6,8-9,17H,1-5,7H2,(H,15,19)
InChIKeyKMCQTTAYKRYWBP-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.00
Rot. Bonds4

About 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one

5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one (PubChem CID 106191871) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
PubChem CID106191871
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
SMILESO=C1CC(Nc2c(Cl)cnn(CC3CCC3)c2=O)CN1
InChIInChI=1S/C13H17ClN4O2/c14-10-6-16-18(7-8-2-1-3-8)13(20)12(10)17-9-4-11(19)15-5-9/h6,8-9,17H,1-5,7H2,(H,15,19)
InChIKeyKMCQTTAYKRYWBP-UHFFFAOYSA-N
XLogP1.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-5-chloro-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443921
4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446204
5-chloro-2-(cyclobutylmethyl)-4-[(2-hydroxycyclohexyl)amino]pyridazin-3-one
CID 114437002
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
5-chloro-2-(cyclobutylmethyl)-4-[(2,2-dimethylcyclopentyl)amino]pyridazin-3-one
CID 114440143
4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 102738878
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclobutylmethyl)-4-(6-hydroxyhexylamino)pyridazin-3-one
CID 107850449
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325
5-chloro-2-(cyclobutylmethyl)-4-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430881
5-chloro-2-(cyclopropylmethyl)-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851419

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one (CID 106191871) is 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one is O=C1CC(Nc2c(Cl)cnn(CC3CCC3)c2=O)CN1.
What is the InChIKey of 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
The InChIKey is KMCQTTAYKRYWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-10-6-16-18(7-8-2-1-3-8)13(20)12(10)17-9-4-11(19)15-5-9/h6,8-9,17H,1-5,7H2,(H,15,19).
What are the key properties of 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one?
5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one has a molecular weight of 296.76 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclobutylmethyl)-4-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 106191871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).