4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one

C14H21BrN4O — CID 114433149

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(CC3CC3)c(=O)c2Br)CC1
InChIInChI=1S/C14H21BrN4O/c1-18-6-4-11(5-7-18)17-12-8-16-19(9-10-2-3-10)14(20)13(12)15/h8,10-11,17H,2-7,9H2,1H3
InChIKeyIAONSCZFGNMVND-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.92
Rot. Bonds4

About 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one (PubChem CID 114433149) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
PubChem CID114433149
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
SMILESCN1CCC(Nc2cnn(CC3CC3)c(=O)c2Br)CC1
InChIInChI=1S/C14H21BrN4O/c1-18-6-4-11(5-7-18)17-12-8-16-19(9-10-2-3-10)14(20)13(12)15/h8,10-11,17H,2-7,9H2,1H3
InChIKeyIAONSCZFGNMVND-UHFFFAOYSA-N
XLogP1.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-5-[(1-methylpyrrolidin-3-yl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114435298
4-bromo-2-(cyclopropylmethyl)-5-[(2,2-dimethyloxan-4-yl)amino]pyridazin-3-one
CID 114441149
4-bromo-2-(cyclopropylmethyl)-5-(thian-3-ylamino)pyridazin-3-one
CID 114443000
4-bromo-5-[(1-ethylpiperidin-4-yl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434748
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-2-(cyclopropylmethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-one
CID 114439863
4-bromo-2-(cyclopropylmethyl)-5-[(3-hydroxy-2-methylbutan-2-yl)amino]pyridazin-3-one
CID 114443213
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
CID 114441623
4-bromo-2-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridazin-3-one
CID 114436218
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434107

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one (CID 114433149) is 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one is CN1CCC(Nc2cnn(CC3CC3)c(=O)c2Br)CC1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
The InChIKey is IAONSCZFGNMVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c1-18-6-4-11(5-7-18)17-12-8-16-19(9-10-2-3-10)14(20)13(12)15/h8,10-11,17H,2-7,9H2,1H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one has a molecular weight of 341.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114433149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).