N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide

C14H15N3O2 — CID 43400571

IUPACN-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(NC(=O)c1n[nH]c(=O)c2ccccc12)C1CC1
InChIInChI=1S/C14H15N3O2/c1-8(9-6-7-9)15-14(19)12-10-4-2-3-5-11(10)13(18)17-16-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyOQKXQJCHPZNCMH-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.45
Rot. Bonds3

About N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 43400571) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID43400571
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCC(NC(=O)c1n[nH]c(=O)c2ccccc12)C1CC1
InChIInChI=1S/C14H15N3O2/c1-8(9-6-7-9)15-14(19)12-10-4-2-3-5-11(10)13(18)17-16-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyOQKXQJCHPZNCMH-UHFFFAOYSA-N
XLogP1.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-[1-(methylamino)-1-oxopropan-2-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 47342650
N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31355541
N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119591824
N-[1-(4-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 17441646
N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020
N-[1-(2,5-dimethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 42907042
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
methyl (2S,3R)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate
CID 9269604
N-[[(2S,6S)-2,6-dimethylcyclohexylidene]amino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176903
4-oxo-N-(1-thiophen-3-ylethyl)-3H-phthalazine-1-carboxamide
CID 62843922

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 43400571) is N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide is CC(NC(=O)c1n[nH]c(=O)c2ccccc12)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is OQKXQJCHPZNCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8(9-6-7-9)15-14(19)12-10-4-2-3-5-11(10)13(18)17-16-12/h2-5,8-9H,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 43400571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).