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

C15H23BrN4O — CID 114447176

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one
SMILESCC1(CNc2cnn(CC3CC3)c(=O)c2Br)CCCNC1
InChIInChI=1S/C15H23BrN4O/c1-15(5-2-6-17-9-15)10-18-12-7-19-20(8-11-3-4-11)14(21)13(12)16/h7,11,17-18H,2-6,8-10H2,1H3
InChIKeyLKMAHDIZRGUONS-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.22
Rot. Bonds5

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

4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one (PubChem CID 114447176) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one
PubChem CID114447176
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one
SMILESCC1(CNc2cnn(CC3CC3)c(=O)c2Br)CCCNC1
InChIInChI=1S/C15H23BrN4O/c1-15(5-2-6-17-9-15)10-18-12-7-19-20(8-11-3-4-11)14(21)13(12)16/h7,11,17-18H,2-6,8-10H2,1H3
InChIKeyLKMAHDIZRGUONS-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-2-(cyclopropylmethyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 114757112
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-2-(cyclopropylmethyl)-5-[(3-methoxyoxolan-3-yl)methylamino]pyridazin-3-one
CID 114441836
5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114445315
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-2-(cyclopropylmethyl)-5-[(2-methylcyclohexyl)methylamino]pyridazin-3-one
CID 114436117
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-2-(cyclopropylmethyl)-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
CID 106287739
4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
CID 114432134
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one (CID 114447176) is 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one is CC1(CNc2cnn(CC3CC3)c(=O)c2Br)CCCNC1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one?
The InChIKey is LKMAHDIZRGUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-15(5-2-6-17-9-15)10-18-12-7-19-20(8-11-3-4-11)14(21)13(12)16/h7,11,17-18H,2-6,8-10H2,1H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one has a molecular weight of 355.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114447176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).