2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C21H24N6O2 — CID 16675473

IUPAC2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)Nc3c(C)nn(C)c3C)c(=O)n12
InChIInChI=1S/C21H24N6O2/c1-11-7-12(2)19-16(8-11)9-13(3)20-24-26(21(29)27(19)20)10-17(28)22-18-14(4)23-25(6)15(18)5/h7-9H,10H2,1-6H3,(H,22,28)
InChIKeyUNNAKOIGRIFVFH-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.56
Rot. Bonds3

About 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 16675473) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID16675473
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)Nc3c(C)nn(C)c3C)c(=O)n12
InChIInChI=1S/C21H24N6O2/c1-11-7-12(2)19-16(8-11)9-13(3)20-24-26(21(29)27(19)20)10-17(28)22-18-14(4)23-25(6)15(18)5/h7-9H,10H2,1-6H3,(H,22,28)
InChIKeyUNNAKOIGRIFVFH-UHFFFAOYSA-N
XLogP2.56
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(8-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 16675096
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
2-(4-chloro-5-methylpyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393480
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037
2-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46958965
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47015272
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-(azocan-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8679994
2-(naphthalen-1-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78815389
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37244507
2-(4-chloropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 19393560

Frequently Asked Questions

What is the IUPAC name of 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 16675473) is 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1cc(C)c2c(c1)cc(C)c1nn(CC(=O)Nc3c(C)nn(C)c3C)c(=O)n12.
What is the InChIKey of 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is UNNAKOIGRIFVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-11-7-12(2)19-16(8-11)9-13(3)20-24-26(21(29)27(19)20)10-17(28)22-18-14(4)23-25(6)15(18)5/h7-9H,10H2,1-6H3,(H,22,28).
What are the key properties of 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7,9-trimethyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 16675473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).