2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide

C16H18ClN5O2 — CID 146068377

IUPAC2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
SMILESCC1C(=O)N(C)Cc2c(CNC(=O)Cc3cccc(Cl)c3)nnn21
InChIInChI=1S/C16H18ClN5O2/c1-10-16(24)21(2)9-14-13(19-20-22(10)14)8-18-15(23)7-11-4-3-5-12(17)6-11/h3-6,10H,7-9H2,1-2H3,(H,18,23)
InChIKeyVWPXARORGDDUKY-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.32
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide

2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide (PubChem CID 146068377) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
PubChem CID146068377
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide
SMILESCC1C(=O)N(C)Cc2c(CNC(=O)Cc3cccc(Cl)c3)nnn21
InChIInChI=1S/C16H18ClN5O2/c1-10-16(24)21(2)9-14-13(19-20-22(10)14)8-18-15(23)7-11-4-3-5-12(17)6-11/h3-6,10H,7-9H2,1-2H3,(H,18,23)
InChIKeyVWPXARORGDDUKY-UHFFFAOYSA-N
XLogP1.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91893423
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide (CID 146068377) is 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide is CC1C(=O)N(C)Cc2c(CNC(=O)Cc3cccc(Cl)c3)nnn21.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
The InChIKey is VWPXARORGDDUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-10-16(24)21(2)9-14-13(19-20-22(10)14)8-18-15(23)7-11-4-3-5-12(17)6-11/h3-6,10H,7-9H2,1-2H3,(H,18,23).
What are the key properties of 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide?
2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide has a molecular weight of 347.81 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(5,7-dimethyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]acetamide is sourced from PubChem (CID 146068377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).