4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one

C16H21N3O2 — CID 82445115

IUPAC4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(OC)cc2)cc(C(C)(C)N)c1=O
InChIInChI=1S/C16H21N3O2/c1-5-19-15(20)13(16(2,3)17)10-14(18-19)11-6-8-12(21-4)9-7-11/h6-10H,5,17H2,1-4H3
InChIKeyBSEQRSALSJYSRL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds4

About 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one

4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 82445115) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID82445115
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(OC)cc2)cc(C(C)(C)N)c1=O
InChIInChI=1S/C16H21N3O2/c1-5-19-15(20)13(16(2,3)17)10-14(18-19)11-6-8-12(21-4)9-7-11/h6-10H,5,17H2,1-4H3
InChIKeyBSEQRSALSJYSRL-UHFFFAOYSA-N
XLogP2.13
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one (CID 82445115) is 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one is CCn1nc(-c2ccc(OC)cc2)cc(C(C)(C)N)c1=O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is BSEQRSALSJYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-19-15(20)13(16(2,3)17)10-14(18-19)11-6-8-12(21-4)9-7-11/h6-10H,5,17H2,1-4H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one?
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82445115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).