5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one

C15H20ClN3O — CID 114435680

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
SMILESO=c1c(NC(C2CC2)C2CC2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C15H20ClN3O/c16-12-7-17-19(8-9-1-2-9)15(20)14(12)18-13(10-3-4-10)11-5-6-11/h7,9-11,13,18H,1-6,8H2
InChIKeyGYSZFBQQINIVBX-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.91
Rot. Bonds6

About 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one (PubChem CID 114435680) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
PubChem CID114435680
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one
SMILESO=c1c(NC(C2CC2)C2CC2)c(Cl)cnn1CC1CC1
InChIInChI=1S/C15H20ClN3O/c16-12-7-17-19(8-9-1-2-9)15(20)14(12)18-13(10-3-4-10)11-5-6-11/h7,9-11,13,18H,1-6,8H2
InChIKeyGYSZFBQQINIVBX-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
5-chloro-4-(1-cyclobutylethylamino)-2-(cyclobutylmethyl)pyridazin-3-one
CID 114443043
5-chloro-2-(cyclopropylmethyl)-4-(hexan-3-ylamino)pyridazin-3-one
CID 114436822
2-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114435337
5-chloro-2-(cyclopropylmethyl)-4-(1-phenylethylamino)pyridazin-3-one
CID 114431879
5-chloro-2-(cyclopropylmethyl)-4-[1-(oxolan-3-yl)ethylamino]pyridazin-3-one
CID 114443407
5-chloro-2-(cyclopropylmethyl)-4-(4-methoxybutan-2-ylamino)pyridazin-3-one
CID 114438940
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
5-chloro-2-(cyclopropylmethyl)-4-(2-hydroxyethylamino)pyridazin-3-one
CID 114432695
4-(2-aminoethylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114444067
5-chloro-2-(cyclobutylmethyl)-4-(3-methylpentan-2-ylamino)pyridazin-3-one
CID 114435325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one (CID 114435680) is 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one is O=c1c(NC(C2CC2)C2CC2)c(Cl)cnn1CC1CC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one?
The InChIKey is GYSZFBQQINIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-12-7-17-19(8-9-1-2-9)15(20)14(12)18-13(10-3-4-10)11-5-6-11/h7,9-11,13,18H,1-6,8H2.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one has a molecular weight of 293.80 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(dicyclopropylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114435680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).