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

C16H19N5O2 — CID 146068410

IUPACN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2
InChIInChI=1S/C16H19N5O2/c1-2-15(22)17-8-13-14-10-20(9-12-6-4-3-5-7-12)16(23)11-21(14)19-18-13/h3-7H,2,8-11H2,1H3,(H,17,22)
InChIKeyLKSLLNINUJQXJC-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.85
Rot. Bonds5

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

N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide (PubChem CID 146068410) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
PubChem CID146068410
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide
SMILESCCC(=O)NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2
InChIInChI=1S/C16H19N5O2/c1-2-15(22)17-8-13-14-10-20(9-12-6-4-3-5-7-12)16(23)11-21(14)19-18-13/h3-7H,2,8-11H2,1H3,(H,17,22)
InChIKeyLKSLLNINUJQXJC-UHFFFAOYSA-N
XLogP0.85
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide?
The IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide (CID 146068410) is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide is CCC(=O)NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2.
What is the InChIKey of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide?
The InChIKey is LKSLLNINUJQXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-15(22)17-8-13-14-10-20(9-12-6-4-3-5-7-12)16(23)11-21(14)19-18-13/h3-7H,2,8-11H2,1H3,(H,17,22).
What are the key properties of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide?
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide has a molecular weight of 313.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]propanamide is sourced from PubChem (CID 146068410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).