5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one

C14H23BrN4O2 — CID 114445942

IUPAC5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCCN(c1cnn(CCO)c(=O)c1Br)C1CCCC1CN
InChIInChI=1S/C14H23BrN4O2/c1-2-18(11-5-3-4-10(11)8-16)12-9-17-19(6-7-20)14(21)13(12)15/h9-11,20H,2-8,16H2,1H3
InChIKeyCXBKLCPDYLQRKJ-UHFFFAOYSA-N
MW359.27 g/mol
LogP0.95
Rot. Bonds6

About 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one

5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114445942) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114445942
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCCN(c1cnn(CCO)c(=O)c1Br)C1CCCC1CN
InChIInChI=1S/C14H23BrN4O2/c1-2-18(11-5-3-4-10(11)8-16)12-9-17-19(6-7-20)14(21)13(12)15/h9-11,20H,2-8,16H2,1H3
InChIKeyCXBKLCPDYLQRKJ-UHFFFAOYSA-N
XLogP0.95
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one
CID 114445933
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5-bromobenzamide
CID 114894072
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114444218
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
4-[[2-(aminomethyl)cyclohexyl]-ethylamino]-3-bromobenzamide
CID 82789401
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445381
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-5-nitropyridin-4-amine
CID 103519630
4-bromo-2-(2-hydroxyethyl)-5-[4-(methylamino)piperidin-1-yl]pyridazin-3-one
CID 114443580

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one (CID 114445942) is 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one is CCN(c1cnn(CCO)c(=O)c1Br)C1CCCC1CN.
What is the InChIKey of 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is CXBKLCPDYLQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-2-18(11-5-3-4-10(11)8-16)12-9-17-19(6-7-20)14(21)13(12)15/h9-11,20H,2-8,16H2,1H3.
What are the key properties of 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one?
5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 359.27 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114445942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).