N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide

C17H21N5O2 — CID 171150370

IUPACN-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1nnn2c1C(=O)NC(C(C)C)C2
InChIInChI=1S/C17H21N5O2/c1-10(2)13-9-22-15(17(24)19-13)14(20-21-22)16(23)18-8-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyITXWMMLUNFURAD-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.28
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide

N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 171150370) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID171150370
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
SMILESCc1ccccc1CNC(=O)c1nnn2c1C(=O)NC(C(C)C)C2
InChIInChI=1S/C17H21N5O2/c1-10(2)13-9-22-15(17(24)19-13)14(20-21-22)16(23)18-8-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3,(H,18,23)(H,19,24)
InChIKeyITXWMMLUNFURAD-UHFFFAOYSA-N
XLogP1.28
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-N-[(4-morpholin-4-ylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154582359
(6S)-N-[(2-ethoxyphenyl)methyl]-6-(2-methylpropyl)-4-oxo-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580159
(6S)-6-(4-fluorophenyl)-N-[(2-methylphenyl)methyl]-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126247
(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580087
6-methyl-N-[(2-methylphenyl)methyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46068495
1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849749
1-[1-[(2-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907889
(6S)-N,6-dimethyl-4-oxo-N-(2-phenylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580030
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
5-amino-N-benzyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 20862522
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide (CID 171150370) is N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is Cc1ccccc1CNC(=O)c1nnn2c1C(=O)NC(C(C)C)C2.
What is the InChIKey of N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is ITXWMMLUNFURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)13-9-22-15(17(24)19-13)14(20-21-22)16(23)18-8-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9H2,1-3H3,(H,18,23)(H,19,24).
What are the key properties of N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide?
N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-4-oxo-6-propan-2-yl-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 171150370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).