6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone

C13H16N6O — CID 104641550

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone
SMILESCCNc1ccc(C(=O)N2CCn3cnnc3C2)nc1
InChIInChI=1S/C13H16N6O/c1-2-14-10-3-4-11(15-7-10)13(20)18-5-6-19-9-16-17-12(19)8-18/h3-4,7,9,14H,2,5-6,8H2,1H3
InChIKeyGNQFTPLSEAPXEP-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.76
Rot. Bonds3

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone (PubChem CID 104641550) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone
PubChem CID104641550
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone
SMILESCCNc1ccc(C(=O)N2CCn3cnnc3C2)nc1
InChIInChI=1S/C13H16N6O/c1-2-14-10-3-4-11(15-7-10)13(20)18-5-6-19-9-16-17-12(19)8-18/h3-4,7,9,14H,2,5-6,8H2,1H3
InChIKeyGNQFTPLSEAPXEP-UHFFFAOYSA-N
XLogP0.76
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(ethylamino)-2-pyridinyl]methanone
CID 64576261
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616769
3,4-dihydro-1H-isoquinolin-2-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639927
[5-(ethylamino)-2-pyridinyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 104641158
N-propyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 115622101
[5-(ethylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964695
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(6-fluoro-2-pyridinyl)methanone
CID 115497926
[5-(ethylamino)-2-pyridinyl]-(4-ethylazepan-1-yl)methanone
CID 104641489
[5-(ethylamino)-2-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 104641208
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583738
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone (CID 104641550) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone is CCNc1ccc(C(=O)N2CCn3cnnc3C2)nc1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone?
The InChIKey is GNQFTPLSEAPXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-2-14-10-3-4-11(15-7-10)13(20)18-5-6-19-9-16-17-12(19)8-18/h3-4,7,9,14H,2,5-6,8H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone has a molecular weight of 272.31 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 104641550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).