5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one

C15H25BrN4O — CID 114446826

IUPAC5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC2(CN)CCCCC2C)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-8-20-14(21)13(16)12(9-18-20)19-15(10-17)7-5-4-6-11(15)2/h9,11,19H,3-8,10,17H2,1-2H3
InChIKeyRBNOWSTYIPRGDM-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.74
Rot. Bonds5

About 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one

5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one (PubChem CID 114446826) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one
PubChem CID114446826
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC2(CN)CCCCC2C)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-8-20-14(21)13(16)12(9-18-20)19-15(10-17)7-5-4-6-11(15)2/h9,11,19H,3-8,10,17H2,1-2H3
InChIKeyRBNOWSTYIPRGDM-UHFFFAOYSA-N
XLogP2.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one?
The IUPAC name of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one (CID 114446826) is 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one?
The canonical SMILES for 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one is CCCn1ncc(NC2(CN)CCCCC2C)c(Br)c1=O.
What is the InChIKey of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one?
The InChIKey is RBNOWSTYIPRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-3-8-20-14(21)13(16)12(9-18-20)19-15(10-17)7-5-4-6-11(15)2/h9,11,19H,3-8,10,17H2,1-2H3.
What are the key properties of 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one?
5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-4-bromo-2-propylpyridazin-3-one is sourced from PubChem (CID 114446826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).