1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide

C18H21N7O2 — CID 166229178

IUPAC1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide
SMILESCN1CCC(n2cc(C(=O)NCCn3ncc4ccccc4c3=O)nn2)C1
InChIInChI=1S/C18H21N7O2/c1-23-8-6-14(11-23)25-12-16(21-22-25)17(26)19-7-9-24-18(27)15-5-3-2-4-13(15)10-20-24/h2-5,10,12,14H,6-9,11H2,1H3,(H,19,26)
InChIKeyWLUDZHMMCNLDHK-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.29
Rot. Bonds5

About 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide

1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 166229178) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide
PubChem CID166229178
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide
SMILESCN1CCC(n2cc(C(=O)NCCn3ncc4ccccc4c3=O)nn2)C1
InChIInChI=1S/C18H21N7O2/c1-23-8-6-14(11-23)25-12-16(21-22-25)17(26)19-7-9-24-18(27)15-5-3-2-4-13(15)10-20-24/h2-5,10,12,14H,6-9,11H2,1H3,(H,19,26)
InChIKeyWLUDZHMMCNLDHK-UHFFFAOYSA-N
XLogP0.29
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-oxophthalazin-2-yl)ethyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97188381
(3R)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131135
(3S)-1-cyclopentyl-5-oxo-N-[2-(1-oxophthalazin-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 97131136
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
CID 56874919
ethyl (3S)-3-[2-(1-oxophthalazin-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125443421
N-[2-(1-oxophthalazin-2-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 155498652
N-(2-hydroxyethyl)-1-[1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45252092
4-acetyl-5-methyl-N-[2-(1-oxophthalazin-2-yl)ethyl]furan-2-carboxamide
CID 166386699
N-[2-(dimethylamino)ethyl]-1-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]triazole-4-carboxamide
CID 25364911
1-[(3R)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 42348901
1-cycloheptyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]triazole-4-carboxamide
CID 45210939
N-(2-hydroxyethyl)-1-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]triazole-4-carboxamide
CID 56711997

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide (CID 166229178) is 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide is CN1CCC(n2cc(C(=O)NCCn3ncc4ccccc4c3=O)nn2)C1.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is WLUDZHMMCNLDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-23-8-6-14(11-23)25-12-16(21-22-25)17(26)19-7-9-24-18(27)15-5-3-2-4-13(15)10-20-24/h2-5,10,12,14H,6-9,11H2,1H3,(H,19,26).
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide?
1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 166229178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).