5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one

C14H18ClN5O2 — CID 133431333

IUPAC5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
SMILESCN(C)CCOc1cc(CNc2cn[nH]c(=O)c2Cl)ccn1
InChIInChI=1S/C14H18ClN5O2/c1-20(2)5-6-22-12-7-10(3-4-16-12)8-17-11-9-18-19-14(21)13(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,19,21)
InChIKeyJWKKXAQLVCYZSN-UHFFFAOYSA-N
MW323.78 g/mol
LogP1.37
Rot. Bonds7

About 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one

5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one (PubChem CID 133431333) has the molecular formula C14H18ClN5O2 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
PubChem CID133431333
Molecular FormulaC14H18ClN5O2
Molecular Weight323.78 g/mol
Exact Mass323.11
IUPAC Name5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
SMILESCN(C)CCOc1cc(CNc2cn[nH]c(=O)c2Cl)ccn1
InChIInChI=1S/C14H18ClN5O2/c1-20(2)5-6-22-12-7-10(3-4-16-12)8-17-11-9-18-19-14(21)13(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,19,21)
InChIKeyJWKKXAQLVCYZSN-UHFFFAOYSA-N
XLogP1.37
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one (CID 133431333) is 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one is CN(C)CCOc1cc(CNc2cn[nH]c(=O)c2Cl)ccn1.
What is the InChIKey of 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one?
The InChIKey is JWKKXAQLVCYZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O2/c1-20(2)5-6-22-12-7-10(3-4-16-12)8-17-11-9-18-19-14(21)13(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,19,21).
What are the key properties of 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one?
5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one has a molecular weight of 323.78 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133431333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).