N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide

C13H15N3O2 — CID 78206341

IUPACN,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide
SMILESCCN(CC)C(=O)C1N=NC(=O)c2ccccc21
InChIInChI=1S/C13H15N3O2/c1-3-16(4-2)13(18)11-9-7-5-6-8-10(9)12(17)15-14-11/h5-8,11H,3-4H2,1-2H3
InChIKeyMQAMRBCFODQWBR-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.20
Rot. Bonds3

About N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide

N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide (PubChem CID 78206341) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide
PubChem CID78206341
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide
SMILESCCN(CC)C(=O)C1N=NC(=O)c2ccccc21
InChIInChI=1S/C13H15N3O2/c1-3-16(4-2)13(18)11-9-7-5-6-8-10(9)12(17)15-14-11/h5-8,11H,3-4H2,1-2H3
InChIKeyMQAMRBCFODQWBR-UHFFFAOYSA-N
XLogP2.20
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67984550
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4-(2-hydroxyethyl)-4H-phthalazin-1-one
CID 19957086
(2S,3R)-N,N-diethyl-3-(2-methoxyphenyl)oxirane-2-carboxamide
CID 56601477
N-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67598243
4-(4-methylphenyl)-4H-phthalazin-1-one
CID 46784026
(2S,3S)-N,N-diethyl-3-methyloxirane-2-carboxamide
CID 45084480
N,N-diethyl-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60703627
N,N-diethyl-2-(2-methylpropyl)-1-oxo-3-thiophen-2-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 22549259
N-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-9H-xanthene-9-carboxamide
CID 71802028
N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-fluorene-9-carboxamide
CID 46989332
[2-(7-chloro-1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-1-yl] N,N-diethylcarbamate
CID 22754741

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide (CID 78206341) is N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide is CCN(CC)C(=O)C1N=NC(=O)c2ccccc21.
What is the InChIKey of N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide?
The InChIKey is MQAMRBCFODQWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-16(4-2)13(18)11-9-7-5-6-8-10(9)12(17)15-14-11/h5-8,11H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide?
N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-oxo-1H-phthalazine-1-carboxamide is sourced from PubChem (CID 78206341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).