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

C21H17N5OS — CID 53482149

IUPAC(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1
InChIInChI=1S/C21H17N5OS/c27-21(16-8-6-15(7-9-16)18-5-3-13-28-18)25-11-12-26-19(14-25)23-24-20(26)17-4-1-2-10-22-17/h1-10,13H,11-12,14H2
InChIKeyZQPUWOPXXQYLPZ-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.72
Rot. Bonds3

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

(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone (PubChem CID 53482149) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone
PubChem CID53482149
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone
SMILESO=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1
InChIInChI=1S/C21H17N5OS/c27-21(16-8-6-15(7-9-16)18-5-3-13-28-18)25-11-12-26-19(14-25)23-24-20(26)17-4-1-2-10-22-17/h1-10,13H,11-12,14H2
InChIKeyZQPUWOPXXQYLPZ-UHFFFAOYSA-N
XLogP3.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone (CID 53482149) is (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone is O=C(c1ccc(-c2cccs2)cc1)N1CCn2c(nnc2-c2ccccn2)C1.
What is the InChIKey of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is ZQPUWOPXXQYLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-21(16-8-6-15(7-9-16)18-5-3-13-28-18)25-11-12-26-19(14-25)23-24-20(26)17-4-1-2-10-22-17/h1-10,13H,11-12,14H2.
What are the key properties of (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone?
(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 387.47 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 53482149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).