5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one

C15H19ClN4O — CID 114444519

IUPAC5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCc2ccc(CCN)cc2)c(Cl)c1=O
InChIInChI=1S/C15H19ClN4O/c1-2-20-15(21)14(16)13(10-19-20)18-9-12-5-3-11(4-6-12)7-8-17/h3-6,10,18H,2,7-9,17H2,1H3
InChIKeyFNSFUWAMRREAGG-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.03
Rot. Bonds6

About 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one

5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one (PubChem CID 114444519) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
PubChem CID114444519
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCc2ccc(CCN)cc2)c(Cl)c1=O
InChIInChI=1S/C15H19ClN4O/c1-2-20-15(21)14(16)13(10-19-20)18-9-12-5-3-11(4-6-12)7-8-17/h3-6,10,18H,2,7-9,17H2,1H3
InChIKeyFNSFUWAMRREAGG-UHFFFAOYSA-N
XLogP2.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one?
The IUPAC name of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one (CID 114444519) is 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one is CCn1ncc(NCc2ccc(CCN)cc2)c(Cl)c1=O.
What is the InChIKey of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one?
The InChIKey is FNSFUWAMRREAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-20-15(21)14(16)13(10-19-20)18-9-12-5-3-11(4-6-12)7-8-17/h3-6,10,18H,2,7-9,17H2,1H3.
What are the key properties of 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one?
5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one has a molecular weight of 306.80 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-aminoethyl)phenyl]methylamino]-4-chloro-2-ethylpyridazin-3-one is sourced from PubChem (CID 114444519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).