4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one

C14H15N3O2 — CID 26925219

IUPAC4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
SMILESCCn1nc(C(=O)N2CCC2)c2ccccc2c1=O
InChIInChI=1S/C14H15N3O2/c1-2-17-13(18)11-7-4-3-6-10(11)12(15-17)14(19)16-8-5-9-16/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyVCNJMZCOUXTVMI-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.26
Rot. Bonds2

About 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one

4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one (PubChem CID 26925219) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
PubChem CID26925219
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one
SMILESCCn1nc(C(=O)N2CCC2)c2ccccc2c1=O
InChIInChI=1S/C14H15N3O2/c1-2-17-13(18)11-7-4-3-6-10(11)12(15-17)14(19)16-8-5-9-16/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyVCNJMZCOUXTVMI-UHFFFAOYSA-N
XLogP1.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(4-methoxypiperidine-1-carbonyl)phthalazin-1-one
CID 56810543
4-[4-(2,2-difluoroethyl)piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 49071749
1-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433439
2-ethyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 26912236
2-benzyl-4-(4-methyl-1,4-diazepane-1-carbonyl)phthalazin-1-one
CID 78769150
2-ethyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phthalazin-1-one
CID 7921160
2-butyl-4-(4-methylpiperazine-1-carbonyl)phthalazin-1-one
CID 9452362
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2-ethylphthalazin-1-one
CID 94637107
4-[4-[(1E,3E)-1,4-diamino-3-methoxybuta-1,3-dienyl]piperazine-1-carbonyl]-2-ethylphthalazin-1-one
CID 171630530
2-ethyl-4-(2-phenylpyrrolidine-1-carbonyl)phthalazin-1-one
CID 75459961
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one?
The IUPAC name of 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one (CID 26925219) is 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one?
The canonical SMILES for 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one is CCn1nc(C(=O)N2CCC2)c2ccccc2c1=O.
What is the InChIKey of 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one?
The InChIKey is VCNJMZCOUXTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-17-13(18)11-7-4-3-6-10(11)12(15-17)14(19)16-8-5-9-16/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one?
4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one has a molecular weight of 257.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-2-ethylphthalazin-1-one is sourced from PubChem (CID 26925219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).