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

C6H11Cl2N5O — CID 170913373

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C6H9N5O.2ClH/c7-5(12)6-10-9-4-3-8-1-2-11(4)6;;/h8H,1-3H2,(H2,7,12);2*1H
InChIKeyUXMCDEKJWVXEGP-UHFFFAOYSA-N
MW240.09 g/mol
LogP-0.68
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride (PubChem CID 170913373) has the molecular formula C6H11Cl2N5O and a molecular weight of 240.09 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride
PubChem CID170913373
Molecular FormulaC6H11Cl2N5O
Molecular Weight240.09 g/mol
Exact Mass239.03
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1nnc2n1CCNC2
InChIInChI=1S/C6H9N5O.2ClH/c7-5(12)6-10-9-4-3-8-1-2-11(4)6;;/h8H,1-3H2,(H2,7,12);2*1H
InChIKeyUXMCDEKJWVXEGP-UHFFFAOYSA-N
XLogP-0.68
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride (CID 170913373) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1nnc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride?
The InChIKey is UXMCDEKJWVXEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O.2ClH/c7-5(12)6-10-9-4-3-8-1-2-11(4)6;;/h8H,1-3H2,(H2,7,12);2*1H.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxamide;dihydrochloride has a molecular weight of 240.09 g/mol, XLogP of -0.68, 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;dihydrochloride is sourced from PubChem (CID 170913373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).