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

C19H18N6O2 — CID 146068406

IUPACN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2)c1cccnc1
InChIInChI=1S/C19H18N6O2/c26-18-13-25-17(12-24(18)11-14-5-2-1-3-6-14)16(22-23-25)10-21-19(27)15-7-4-8-20-9-15/h1-9H,10-13H2,(H,21,27)
InChIKeyHCOOSGLGNFNELU-UHFFFAOYSA-N
MW362.39 g/mol
LogP1.15
Rot. Bonds5

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

N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 146068406) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID146068406
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2)c1cccnc1
InChIInChI=1S/C19H18N6O2/c26-18-13-25-17(12-24(18)11-14-5-2-1-3-6-14)16(22-23-25)10-21-19(27)15-7-4-8-20-9-15/h1-9H,10-13H2,(H,21,27)
InChIKeyHCOOSGLGNFNELU-UHFFFAOYSA-N
XLogP1.15
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]pyridine-3-carboxamide?
The IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide (CID 146068406) is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide is O=C(NCc1nnn2c1CN(Cc1ccccc1)C(=O)C2)c1cccnc1.
What is the InChIKey of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is HCOOSGLGNFNELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c26-18-13-25-17(12-24(18)11-14-5-2-1-3-6-14)16(22-23-25)10-21-19(27)15-7-4-8-20-9-15/h1-9H,10-13H2,(H,21,27).
What are the key properties of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide?
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]pyridine-3-carboxamide is sourced from PubChem (CID 146068406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).