N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide

C16H18N8O3 — CID 146065843

IUPACN-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cnn(Cc2cc(C(=O)NCc3nnn4c3CNC(=O)C4C)no2)c1
InChIInChI=1S/C16H18N8O3/c1-9-4-19-23(7-9)8-11-3-12(21-27-11)16(26)17-5-13-14-6-18-15(25)10(2)24(14)22-20-13/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,26)(H,18,25)
InChIKeyMPVUPUUMKHMBEU-UHFFFAOYSA-N
MW370.37 g/mol
LogP-0.06
Rot. Bonds5

About N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide

N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 146065843) has the molecular formula C16H18N8O3 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID146065843
Molecular FormulaC16H18N8O3
Molecular Weight370.37 g/mol
Exact Mass370.15
IUPAC NameN-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1cnn(Cc2cc(C(=O)NCc3nnn4c3CNC(=O)C4C)no2)c1
InChIInChI=1S/C16H18N8O3/c1-9-4-19-23(7-9)8-11-3-12(21-27-11)16(26)17-5-13-14-6-18-15(25)10(2)24(14)22-20-13/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,26)(H,18,25)
InChIKeyMPVUPUUMKHMBEU-UHFFFAOYSA-N
XLogP-0.06
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
2-(3-methoxyphenyl)-N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
CID 146068217
N-(3-hydroxybutyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 109476379
4-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524527
2-methyl-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120518510
5-[(4-methylpyrazol-1-yl)methyl]-N-[2-(2H-tetrazol-5-yl)butan-2-yl]-1,2-oxazole-3-carboxamide
CID 167957277
5-[(4-methylpyrazol-1-yl)methyl]-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 126768791
[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 124612411
3-methyl-N-[(6-oxo-7-propan-2-yl-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]thiophene-2-carboxamide
CID 146070934
(8aS,12aR)-1-acetyl-4-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]-3,5,6,7,8a,9,10,11,12,12a-decahydro-2H-benzo[h][1,4,7]triazecin-8-one
CID 146048596
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283
4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120533690

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide (CID 146065843) is N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide is Cc1cnn(Cc2cc(C(=O)NCc3nnn4c3CNC(=O)C4C)no2)c1.
What is the InChIKey of N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MPVUPUUMKHMBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O3/c1-9-4-19-23(7-9)8-11-3-12(21-27-11)16(26)17-5-13-14-6-18-15(25)10(2)24(14)22-20-13/h3-4,7,10H,5-6,8H2,1-2H3,(H,17,26)(H,18,25).
What are the key properties of N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide?
N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 370.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-6-oxo-5,7-dihydro-4H-triazolo[1,5-a]pyrazin-3-yl)methyl]-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146065843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).