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

C9H15N5O2S — CID 64576499

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCn2cnnc2C1
InChIInChI=1S/C9H15N5O2S/c10-7-4-17(15,16)5-8(7)13-1-2-14-6-11-12-9(14)3-13/h6-8H,1-5,10H2
InChIKeyJCTULWLPXYULGD-UHFFFAOYSA-N
MW257.32 g/mol
LogP-1.78
Rot. Bonds1

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

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine (PubChem CID 64576499) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine
PubChem CID64576499
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine
SMILESNC1CS(=O)(=O)CC1N1CCn2cnnc2C1
InChIInChI=1S/C9H15N5O2S/c10-7-4-17(15,16)5-8(7)13-1-2-14-6-11-12-9(14)3-13/h6-8H,1-5,10H2
InChIKeyJCTULWLPXYULGD-UHFFFAOYSA-N
XLogP-1.78
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-1.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine (CID 64576499) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine is NC1CS(=O)(=O)CC1N1CCn2cnnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine?
The InChIKey is JCTULWLPXYULGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c10-7-4-17(15,16)5-8(7)13-1-2-14-6-11-12-9(14)3-13/h6-8H,1-5,10H2.
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine has a molecular weight of 257.32 g/mol, XLogP of -1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 64576499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).