5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one

C15H23ClN4O — CID 114440605

IUPAC5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
SMILESCC(CNc1c(Cl)cnn(CC2CC2)c1=O)N1CCCC1
InChIInChI=1S/C15H23ClN4O/c1-11(19-6-2-3-7-19)8-17-14-13(16)9-18-20(15(14)21)10-12-4-5-12/h9,11-12,17H,2-8,10H2,1H3
InChIKeyLYTOQGRVCAIXGG-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.20
Rot. Bonds6

About 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one

5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one (PubChem CID 114440605) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
PubChem CID114440605
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
SMILESCC(CNc1c(Cl)cnn(CC2CC2)c1=O)N1CCCC1
InChIInChI=1S/C15H23ClN4O/c1-11(19-6-2-3-7-19)8-17-14-13(16)9-18-20(15(14)21)10-12-4-5-12/h9,11-12,17H,2-8,10H2,1H3
InChIKeyLYTOQGRVCAIXGG-UHFFFAOYSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436255
5-chloro-2-(cyclopropylmethyl)-4-(2-propan-2-yloxyethylamino)pyridazin-3-one
CID 114441785
3-[[5-chloro-2-(cyclopropylmethyl)-3-oxopyridazin-4-yl]amino]-2-hydroxypropanamide
CID 106177775
5-chloro-4-(1-cyclopentylethylamino)-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438447
4-(butylamino)-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432144
5-chloro-2-(cyclopropylmethyl)-4-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443243
5-chloro-2-(cyclobutylmethyl)-4-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438346
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-(cyclopropylmethyl)-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439992
4-[(4-aminocyclohexyl)amino]-5-chloro-2-(cyclopropylmethyl)pyridazin-3-one
CID 114446204
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-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The IUPAC name of 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one (CID 114440605) is 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The canonical SMILES for 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one is CC(CNc1c(Cl)cnn(CC2CC2)c1=O)N1CCCC1.
What is the InChIKey of 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The InChIKey is LYTOQGRVCAIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-11(19-6-2-3-7-19)8-17-14-13(16)9-18-20(15(14)21)10-12-4-5-12/h9,11-12,17H,2-8,10H2,1H3.
What are the key properties of 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one has a molecular weight of 310.83 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopropylmethyl)-4-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one is sourced from PubChem (CID 114440605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).