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

C6H10ClN5O — CID 66599214

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C6H9N5O.ClH/c7-5(12)6-10-9-4-3-8-1-2-11(4)6;/h8H,1-3H2,(H2,7,12);1H
InChIKeyPLQYJPDXLLORQU-UHFFFAOYSA-N
MW203.63 g/mol
LogP-1.10
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride (PubChem CID 66599214) has the molecular formula C6H10ClN5O and a molecular weight of 203.63 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride
PubChem CID66599214
Molecular FormulaC6H10ClN5O
Molecular Weight203.63 g/mol
Exact Mass203.06
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C6H9N5O.ClH/c7-5(12)6-10-9-4-3-8-1-2-11(4)6;/h8H,1-3H2,(H2,7,12);1H
InChIKeyPLQYJPDXLLORQU-UHFFFAOYSA-N
XLogP-1.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride (CID 66599214) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride is Cl.NC(=O)c1nnc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride?
The InChIKey is PLQYJPDXLLORQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O.ClH/c7-5(12)6-10-9-4-3-8-1-2-11(4)6;/h8H,1-3H2,(H2,7,12);1H.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of -1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 66599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).