7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C16H19N5O2 — CID 71447982

IUPAC7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCCCNC(=O)c1nnc2n1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C16H19N5O2/c1-2-8-17-15(22)14-19-18-13-11-20(9-10-21(13)14)16(23)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,22)
InChIKeyFYOIUSOVGMDZJQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.07
Rot. Bonds4

About 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 71447982) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID71447982
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESCCCNC(=O)c1nnc2n1CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C16H19N5O2/c1-2-8-17-15(22)14-19-18-13-11-20(9-10-21(13)14)16(23)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,22)
InChIKeyFYOIUSOVGMDZJQ-UHFFFAOYSA-N
XLogP1.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

N-(2-acetamidoethyl)-7-(2-methylbenzoyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71448450
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442309
7-[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
CID 71448451
4-benzoyl-N-butylpiperazine-1-carbothioamide
CID 7945044
(3-fluorophenyl)-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 53015177
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1H-pyridin-2-one
CID 71918501
(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-thiophen-3-ylmethanone
CID 53193528
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
2-(methylamino)-1-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 120704817
1-(4-phenylpiperazine-1-carbonyl)-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072302

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 71447982) is 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is CCCNC(=O)c1nnc2n1CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is FYOIUSOVGMDZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-2-8-17-15(22)14-19-18-13-11-20(9-10-21(13)14)16(23)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,17,22).
What are the key properties of 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 71447982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).