4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one

C14H19ClN4O — CID 114436316

IUPAC4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(NC2CCN(C3CC3)C2)c(Cl)c1=O
InChIInChI=1S/C14H19ClN4O/c1-2-6-19-14(20)13(15)12(8-16-19)17-10-5-7-18(9-10)11-3-4-11/h2,8,10-11,17H,1,3-7,9H2
InChIKeyGDVFANKMZJPVCB-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.73
Rot. Bonds5

About 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one

4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one (PubChem CID 114436316) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
PubChem CID114436316
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(NC2CCN(C3CC3)C2)c(Cl)c1=O
InChIInChI=1S/C14H19ClN4O/c1-2-6-19-14(20)13(15)12(8-16-19)17-10-5-7-18(9-10)11-3-4-11/h2,8,10-11,17H,1,3-7,9H2
InChIKeyGDVFANKMZJPVCB-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
CID 114431194
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
4-chloro-5-[(3-hydroxycyclobutyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114439723
4-chloro-2-prop-2-enyl-5-[(4-propylcyclohexyl)amino]pyridazin-3-one
CID 114435909
5-[[2-(aminomethyl)cyclopentyl]amino]-4-chloro-2-prop-2-enylpyridazin-3-one
CID 114445881
4-chloro-5-[(2-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114436804
5-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114440645
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114436226
4-chloro-2-ethyl-5-[(1-ethylpiperidin-4-yl)amino]pyridazin-3-one
CID 114434740
4-bromo-5-(cyclobutylamino)-2-prop-2-enylpyridazin-3-one
CID 114437022
4-chloro-2-prop-2-enyl-5-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridazin-3-one
CID 114439997
4-chloro-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114439006

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one (CID 114436316) is 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(NC2CCN(C3CC3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one?
The InChIKey is GDVFANKMZJPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-2-6-19-14(20)13(15)12(8-16-19)17-10-5-7-18(9-10)11-3-4-11/h2,8,10-11,17H,1,3-7,9H2.
What are the key properties of 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one?
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one has a molecular weight of 294.79 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 114436316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).