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

C6H12Cl2N4O — CID 54595923

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride
SMILESCl.Cl.OCc1nnc2n1CCNC2
InChIInChI=1S/C6H10N4O.2ClH/c11-4-6-9-8-5-3-7-1-2-10(5)6;;/h7,11H,1-4H2;2*1H
InChIKeyQPCCBBKCWDXEIR-UHFFFAOYSA-N
MW227.09 g/mol
LogP-0.28
Rot. Bonds1

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

5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride (PubChem CID 54595923) has the molecular formula C6H12Cl2N4O and a molecular weight of 227.09 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride
PubChem CID54595923
Molecular FormulaC6H12Cl2N4O
Molecular Weight227.09 g/mol
Exact Mass226.04
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride
SMILESCl.Cl.OCc1nnc2n1CCNC2
InChIInChI=1S/C6H10N4O.2ClH/c11-4-6-9-8-5-3-7-1-2-10(5)6;;/h7,11H,1-4H2;2*1H
InChIKeyQPCCBBKCWDXEIR-UHFFFAOYSA-N
XLogP-0.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 5-0.28
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]pyrazin-3-ylmethanol;dihydrochloride?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride (CID 54595923) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride is Cl.Cl.OCc1nnc2n1CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride?
The InChIKey is QPCCBBKCWDXEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.2ClH/c11-4-6-9-8-5-3-7-1-2-10(5)6;;/h7,11H,1-4H2;2*1H.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride?
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol;dihydrochloride has a molecular weight of 227.09 g/mol, XLogP of -0.28, 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]pyrazin-3-ylmethanol;dihydrochloride is sourced from PubChem (CID 54595923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).