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

C8H15N5O2S — CID 64576177

IUPAC3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C8H15N5O2S/c9-2-1-5-16(14,15)13-4-3-12-7-10-11-8(12)6-13/h7H,1-6,9H2
InChIKeyVGWTVWUCEOFMBF-UHFFFAOYSA-N
MW245.31 g/mol
LogP-1.23
Rot. Bonds4

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

3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine (PubChem CID 64576177) has the molecular formula C8H15N5O2S and a molecular weight of 245.31 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine
PubChem CID64576177
Molecular FormulaC8H15N5O2S
Molecular Weight245.31 g/mol
Exact Mass245.09
IUPAC Name3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)N1CCn2cnnc2C1
InChIInChI=1S/C8H15N5O2S/c9-2-1-5-16(14,15)13-4-3-12-7-10-11-8(12)6-13/h7H,1-6,9H2
InChIKeyVGWTVWUCEOFMBF-UHFFFAOYSA-N
XLogP-1.23
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ylsulfonyl)propan-1-amine?
The IUPAC name of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine (CID 64576177) is 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine is NCCCS(=O)(=O)N1CCn2cnnc2C1.
What is the InChIKey of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine?
The InChIKey is VGWTVWUCEOFMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2S/c9-2-1-5-16(14,15)13-4-3-12-7-10-11-8(12)6-13/h7H,1-6,9H2.
What are the key properties of 3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine?
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)propan-1-amine has a molecular weight of 245.31 g/mol, XLogP of -1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-ylsulfonyl)propan-1-amine is sourced from PubChem (CID 64576177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).