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

C10H13N7OS — CID 80616769

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCn3cnnc3C2)s1
InChIInChI=1S/C10H13N7OS/c1-2-11-10-15-14-8(19-10)9(18)16-3-4-17-6-12-13-7(17)5-16/h6H,2-5H2,1H3,(H,11,15)
InChIKeyKPAQTEPUYFBZPM-UHFFFAOYSA-N
MW279.33 g/mol
LogP0.22
Rot. Bonds3

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80616769) has the molecular formula C10H13N7OS and a molecular weight of 279.33 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80616769
Molecular FormulaC10H13N7OS
Molecular Weight279.33 g/mol
Exact Mass279.09
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCn3cnnc3C2)s1
InChIInChI=1S/C10H13N7OS/c1-2-11-10-15-14-8(19-10)9(18)16-3-4-17-6-12-13-7(17)5-16/h6H,2-5H2,1H3,(H,11,15)
InChIKeyKPAQTEPUYFBZPM-UHFFFAOYSA-N
XLogP0.22
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of 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) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone is CCNc1nnc(C(=O)N2CCn3cnnc3C2)s1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is KPAQTEPUYFBZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7OS/c1-2-11-10-15-14-8(19-10)9(18)16-3-4-17-6-12-13-7(17)5-16/h6H,2-5H2,1H3,(H,11,15).
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 279.33 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80616769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).