4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one

C14H25ClN4O2 — CID 106149013

IUPAC4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC(C)(O)CN(C)C)c(Cl)c1=O
InChIInChI=1S/C14H25ClN4O2/c1-10(2)7-19-13(20)12(15)11(6-17-19)16-8-14(3,21)9-18(4)5/h6,10,16,21H,7-9H2,1-5H3
InChIKeyNZLIBTHOVAPAAM-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.28
Rot. Bonds7

About 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 106149013) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID106149013
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCC(C)(O)CN(C)C)c(Cl)c1=O
InChIInChI=1S/C14H25ClN4O2/c1-10(2)7-19-13(20)12(15)11(6-17-19)16-8-14(3,21)9-18(4)5/h6,10,16,21H,7-9H2,1-5H3
InChIKeyNZLIBTHOVAPAAM-UHFFFAOYSA-N
XLogP1.28
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one (CID 106149013) is 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NCC(C)(O)CN(C)C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is NZLIBTHOVAPAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O2/c1-10(2)7-19-13(20)12(15)11(6-17-19)16-8-14(3,21)9-18(4)5/h6,10,16,21H,7-9H2,1-5H3.
What are the key properties of 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 316.83 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 106149013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).