2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

C6H11N5O — CID 121419819

IUPAC2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESNC(=O)C1NN=C2CNCCN21
InChIInChI=1S/C6H11N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h6,8,10H,1-3H2,(H2,7,12)
InChIKeyXPUVTGQWZMVGHJ-UHFFFAOYSA-N
MW169.19 g/mol
LogP-2.38
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide

2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (PubChem CID 121419819) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
PubChem CID121419819
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide
SMILESNC(=O)C1NN=C2CNCCN21
InChIInChI=1S/C6H11N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h6,8,10H,1-3H2,(H2,7,12)
InChIKeyXPUVTGQWZMVGHJ-UHFFFAOYSA-N
XLogP-2.38
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide (CID 121419819) is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is NC(=O)C1NN=C2CNCCN21.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
The InChIKey is XPUVTGQWZMVGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c7-5(12)6-10-9-4-3-8-1-2-11(4)6/h6,8,10H,1-3H2,(H2,7,12).
What are the key properties of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide?
2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide has a molecular weight of 169.19 g/mol, XLogP of -2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide is sourced from PubChem (CID 121419819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).