3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine

C15H16N4O — CID 11140131

IUPAC3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
SMILESCCCNc1nnc(-c2ccccc2)c2onc(C)c12
InChIInChI=1S/C15H16N4O/c1-3-9-16-15-12-10(2)19-20-14(12)13(17-18-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyDGKMYOFVKALZIH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.42
Rot. Bonds4

About 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine

3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine (PubChem CID 11140131) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine.

Molecular Properties

Compound Name3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
PubChem CID11140131
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine
SMILESCCCNc1nnc(-c2ccccc2)c2onc(C)c12
InChIInChI=1S/C15H16N4O/c1-3-9-16-15-12-10(2)19-20-14(12)13(17-18-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyDGKMYOFVKALZIH-UHFFFAOYSA-N
XLogP3.42
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-3-pyridinyl)-N-propylphthalazin-1-amine
CID 115375506
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940
N-(2-methoxyethyl)-4-phenylphthalazin-1-amine
CID 6405351
1-N-propylphthalazine-1,4-diamine
CID 90689630
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66306247
N-butyl-4-methylphthalazin-1-amine
CID 43395112
N'-benzyl-N'-ethyl-N-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 20924698
4,5-diphenyl-N-propyl-1H-pyrazol-3-amine
CID 12931069
3-[[4-(4-methylphenyl)phthalazin-1-yl]amino]propanoic acid
CID 82192890
3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 86154193
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
The IUPAC name of 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine (CID 11140131) is 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine.
What is the SMILES notation for 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
The canonical SMILES for 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine is CCCNc1nnc(-c2ccccc2)c2onc(C)c12.
What is the InChIKey of 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
The InChIKey is DGKMYOFVKALZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-9-16-15-12-10(2)19-20-14(12)13(17-18-15)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine?
3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenyl-N-propyl-[1,2]oxazolo[4,5-d]pyridazin-4-amine is sourced from PubChem (CID 11140131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).