4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one

C10H16ClN3O — CID 82213996

IUPAC4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one
SMILESCCN(c1cn[nH]c(=O)c1Cl)C(C)(C)C
InChIInChI=1S/C10H16ClN3O/c1-5-14(10(2,3)4)7-6-12-13-9(15)8(7)11/h6H,5H2,1-4H3,(H,13,15)
InChIKeyKTRPMHPIJQGGSC-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.05
Rot. Bonds2

About 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one

4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one (PubChem CID 82213996) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one
PubChem CID82213996
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one
SMILESCCN(c1cn[nH]c(=O)c1Cl)C(C)(C)C
InChIInChI=1S/C10H16ClN3O/c1-5-14(10(2,3)4)7-6-12-13-9(15)8(7)11/h6H,5H2,1-4H3,(H,13,15)
InChIKeyKTRPMHPIJQGGSC-UHFFFAOYSA-N
XLogP2.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one (CID 82213996) is 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one is CCN(c1cn[nH]c(=O)c1Cl)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one?
The InChIKey is KTRPMHPIJQGGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-5-14(10(2,3)4)7-6-12-13-9(15)8(7)11/h6H,5H2,1-4H3,(H,13,15).
What are the key properties of 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one?
4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one has a molecular weight of 229.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(ethyl)amino]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 82213996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).