3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride

C11H15Cl2N5 — CID 67452805

IUPAC3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCc1cccc(-c2nnc3n2CCNC3)n1.Cl.Cl
InChIInChI=1S/C11H13N5.2ClH/c1-8-3-2-4-9(13-8)11-15-14-10-7-12-5-6-16(10)11;;/h2-4,12H,5-7H2,1H3;2*1H
InChIKeyUFDGXXKUXQWLNW-UHFFFAOYSA-N
MW288.18 g/mol
LogP1.60
Rot. Bonds1

About 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride

3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 67452805) has the molecular formula C11H15Cl2N5 and a molecular weight of 288.18 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID67452805
Molecular FormulaC11H15Cl2N5
Molecular Weight288.18 g/mol
Exact Mass287.07
IUPAC Name3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCc1cccc(-c2nnc3n2CCNC3)n1.Cl.Cl
InChIInChI=1S/C11H13N5.2ClH/c1-8-3-2-4-9(13-8)11-15-14-10-7-12-5-6-16(10)11;;/h2-4,12H,5-7H2,1H3;2*1H
InChIKeyUFDGXXKUXQWLNW-UHFFFAOYSA-N
XLogP1.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 67452805) is 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is Cc1cccc(-c2nnc3n2CCNC3)n1.Cl.Cl.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is UFDGXXKUXQWLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5.2ClH/c1-8-3-2-4-9(13-8)11-15-14-10-7-12-5-6-16(10)11;;/h2-4,12H,5-7H2,1H3;2*1H.
What are the key properties of 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 288.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 67452805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).