5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one

C14H21BrN4O — CID 114445315

IUPAC5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
SMILESNCC1(Nc2cnn(CC3CC3)c(=O)c2Br)CCCC1
InChIInChI=1S/C14H21BrN4O/c15-12-11(18-14(9-16)5-1-2-6-14)7-17-19(13(12)20)8-10-3-4-10/h7,10,18H,1-6,8-9,16H2
InChIKeyHUQKJDXSFJVFOK-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.10
Rot. Bonds5

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

5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one (PubChem CID 114445315) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
PubChem CID114445315
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
SMILESNCC1(Nc2cnn(CC3CC3)c(=O)c2Br)CCCC1
InChIInChI=1S/C14H21BrN4O/c15-12-11(18-14(9-16)5-1-2-6-14)7-17-19(13(12)20)8-10-3-4-10/h7,10,18H,1-6,8-9,16H2
InChIKeyHUQKJDXSFJVFOK-UHFFFAOYSA-N
XLogP2.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-[[1-(hydroxymethyl)cyclopropyl]amino]pyridazin-3-one
CID 114443191
5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114445328
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-2-(cyclopropylmethyl)-5-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridazin-3-one
CID 107851373
4-bromo-2-(2-hydroxyethyl)-5-[[1-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 114437211
4-bromo-2-(cyclopropylmethyl)-5-[(3-methylpiperidin-3-yl)methylamino]pyridazin-3-one
CID 114447176
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-2-(cyclopropylmethyl)-5-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775
4-bromo-2-(cyclopropylmethyl)-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 114757112
4-bromo-2-(cyclopropylmethyl)-5-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridazin-3-one
CID 107866283
5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one
CID 114446826
4-bromo-2-(cyclopropylmethyl)-5-[(2,2-dimethyloxan-4-yl)amino]pyridazin-3-one
CID 114441149

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
The IUPAC name of 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one (CID 114445315) is 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one.
What is the SMILES notation for 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
The canonical SMILES for 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one is NCC1(Nc2cnn(CC3CC3)c(=O)c2Br)CCCC1.
What is the InChIKey of 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
The InChIKey is HUQKJDXSFJVFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c15-12-11(18-14(9-16)5-1-2-6-14)7-17-19(13(12)20)8-10-3-4-10/h7,10,18H,1-6,8-9,16H2.
What are the key properties of 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one?
5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one has a molecular weight of 341.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)cyclopentyl]amino]-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one is sourced from PubChem (CID 114445315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).