N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide

C20H25N5O3 — CID 146068464

IUPACN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide
SMILESCC1C(=O)N(Cc2ccccc2)Cc2c(CNC(=O)C3CCOCC3)nnn21
InChIInChI=1S/C20H25N5O3/c1-14-20(27)24(12-15-5-3-2-4-6-15)13-18-17(22-23-25(14)18)11-21-19(26)16-7-9-28-10-8-16/h2-6,14,16H,7-13H2,1H3,(H,21,26)
InChIKeyLPQMNNDQSFMYCO-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.42
Rot. Bonds5

About N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide

N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide (PubChem CID 146068464) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide
PubChem CID146068464
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide
SMILESCC1C(=O)N(Cc2ccccc2)Cc2c(CNC(=O)C3CCOCC3)nnn21
InChIInChI=1S/C20H25N5O3/c1-14-20(27)24(12-15-5-3-2-4-6-15)13-18-17(22-23-25(14)18)11-21-19(26)16-7-9-28-10-8-16/h2-6,14,16H,7-13H2,1H3,(H,21,26)
InChIKeyLPQMNNDQSFMYCO-UHFFFAOYSA-N
XLogP1.42
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide (CID 146068464) is N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide is CC1C(=O)N(Cc2ccccc2)Cc2c(CNC(=O)C3CCOCC3)nnn21.
What is the InChIKey of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide?
The InChIKey is LPQMNNDQSFMYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14-20(27)24(12-15-5-3-2-4-6-15)13-18-17(22-23-25(14)18)11-21-19(26)16-7-9-28-10-8-16/h2-6,14,16H,7-13H2,1H3,(H,21,26).
What are the key properties of N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide?
N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-7-methyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 146068464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).