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

C11H19N5O2S — CID 64578888

IUPACN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCN2CCn3cnnc3C2)C1
InChIInChI=1S/C11H19N5O2S/c17-19(18)6-1-10(8-19)12-2-3-15-4-5-16-9-13-14-11(16)7-15/h9-10,12H,1-8H2
InChIKeyQCSPJGKKODUWKM-UHFFFAOYSA-N
MW285.37 g/mol
LogP-1.13
Rot. Bonds4

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

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine (PubChem CID 64578888) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine
PubChem CID64578888
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine
SMILESO=S1(=O)CCC(NCCN2CCn3cnnc3C2)C1
InChIInChI=1S/C11H19N5O2S/c17-19(18)6-1-10(8-19)12-2-3-15-4-5-16-9-13-14-11(16)7-15/h9-10,12H,1-8H2
InChIKeyQCSPJGKKODUWKM-UHFFFAOYSA-N
XLogP-1.13
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine (CID 64578888) is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine is O=S1(=O)CCC(NCCN2CCn3cnnc3C2)C1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
The InChIKey is QCSPJGKKODUWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c17-19(18)6-1-10(8-19)12-2-3-15-4-5-16-9-13-14-11(16)7-15/h9-10,12H,1-8H2.
What are the key properties of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine?
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine has a molecular weight of 285.37 g/mol, XLogP of -1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 64578888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).