N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide

C21H24N6O3 — CID 91908412

IUPACN-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cn2nnc(C(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C21H24N6O3/c1-12-4-5-16(10-13(12)2)23-19(28)15-6-8-26(9-7-15)21(30)17-18-20(29)22-14(3)11-27(18)25-24-17/h4-5,10-11,15H,6-9H2,1-3H3,(H,22,29)(H,23,28)
InChIKeyTUTVZKVXRBLAJH-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.83
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide

N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 91908412) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
PubChem CID91908412
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide
SMILESCc1cn2nnc(C(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2c(=O)[nH]1
InChIInChI=1S/C21H24N6O3/c1-12-4-5-16(10-13(12)2)23-19(28)15-6-8-26(9-7-15)21(30)17-18-20(29)22-14(3)11-27(18)25-24-17/h4-5,10-11,15H,6-9H2,1-3H3,(H,22,29)(H,23,28)
InChIKeyTUTVZKVXRBLAJH-UHFFFAOYSA-N
XLogP1.83
TPSA112.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide (CID 91908412) is N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide is Cc1cn2nnc(C(=O)N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)c2c(=O)[nH]1.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is TUTVZKVXRBLAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-12-4-5-16(10-13(12)2)23-19(28)15-6-8-26(9-7-15)21(30)17-18-20(29)22-14(3)11-27(18)25-24-17/h4-5,10-11,15H,6-9H2,1-3H3,(H,22,29)(H,23,28).
What are the key properties of N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-1-(6-methyl-4-oxo-5H-triazolo[1,5-a]pyrazine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91908412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).