2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide

C19H21N7O2 — CID 46959053

IUPAC2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
SMILESCCCn1ncc(C)c1NC(=O)Cn1nc2c3ccccc3nc(C)n2c1=O
InChIInChI=1S/C19H21N7O2/c1-4-9-24-17(12(2)10-20-24)22-16(27)11-25-19(28)26-13(3)21-15-8-6-5-7-14(15)18(26)23-25/h5-8,10H,4,9,11H2,1-3H3,(H,22,27)
InChIKeyZYPQPVVRMXAPHK-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.91
Rot. Bonds5

About 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide

2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide (PubChem CID 46959053) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
PubChem CID46959053
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
SMILESCCCn1ncc(C)c1NC(=O)Cn1nc2c3ccccc3nc(C)n2c1=O
InChIInChI=1S/C19H21N7O2/c1-4-9-24-17(12(2)10-20-24)22-16(27)11-25-19(28)26-13(3)21-15-8-6-5-7-14(15)18(26)23-25/h5-8,10H,4,9,11H2,1-3H3,(H,22,27)
InChIKeyZYPQPVVRMXAPHK-UHFFFAOYSA-N
XLogP1.91
TPSA99.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide 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-cyclohexyl-N-methyl-2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 46959041
2-(5-ethyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(2-methoxyethyl)acetamide
CID 46950540
2-(1-benzylpiperidin-4-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide
CID 134708490
N-[(4-fluorophenyl)methyl]-2-(3-oxo-5-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 16675303
N-(2-methylphenyl)-2-(1-oxo-4-phenoxy-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl)acetamide
CID 53028534
N-[2-(trifluoromethyl)phenyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 71802545
2-(benzotriazol-2-yl)-N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
CID 46999122
5-ethyl-2-(2-morpholin-4-yl-2-oxoethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 46952351
5-tert-butyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-one
CID 16675961
N-[(4-fluorophenyl)methyl]-2-(5,7,8-trimethyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)acetamide
CID 71802549
N-[1-[(3-fluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-indazol-2-ylacetamide
CID 50984716
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55451342

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide (CID 46959053) is 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide is CCCn1ncc(C)c1NC(=O)Cn1nc2c3ccccc3nc(C)n2c1=O.
What is the InChIKey of 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide?
The InChIKey is ZYPQPVVRMXAPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-4-9-24-17(12(2)10-20-24)22-16(27)11-25-19(28)26-13(3)21-15-8-6-5-7-14(15)18(26)23-25/h5-8,10H,4,9,11H2,1-3H3,(H,22,27).
What are the key properties of 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide?
2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(4-methyl-1-propylpyrazol-5-yl)acetamide is sourced from PubChem (CID 46959053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).