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

C10H17N5O2S — CID 64576460

IUPAC[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCS(=O)(=O)C1
InChIInChI=1S/C10H17N5O2S/c11-6-10(1-4-18(16,17)7-10)15-3-2-14-8-12-13-9(14)5-15/h8H,1-7,11H2
InChIKeyVEPZRPBJKVTMMR-UHFFFAOYSA-N
MW271.35 g/mol
LogP-1.39
Rot. Bonds2

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

[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine (PubChem CID 64576460) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine
PubChem CID64576460
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine
SMILESNCC1(N2CCn3cnnc3C2)CCS(=O)(=O)C1
InChIInChI=1S/C10H17N5O2S/c11-6-10(1-4-18(16,17)7-10)15-3-2-14-8-12-13-9(14)5-15/h8H,1-7,11H2
InChIKeyVEPZRPBJKVTMMR-UHFFFAOYSA-N
XLogP-1.39
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
The IUPAC name of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine (CID 64576460) is [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine.
What is the SMILES notation for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
The canonical SMILES for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine is NCC1(N2CCn3cnnc3C2)CCS(=O)(=O)C1.
What is the InChIKey of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
The InChIKey is VEPZRPBJKVTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c11-6-10(1-4-18(16,17)7-10)15-3-2-14-8-12-13-9(14)5-15/h8H,1-7,11H2.
What are the key properties of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine?
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine has a molecular weight of 271.35 g/mol, XLogP of -1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,1-dioxothiolan-3-yl]methanamine is sourced from PubChem (CID 64576460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).