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

C10H13Cl2N5 — CID 67454095

IUPAC3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nnc3n2CCNC3)nc1
InChIInChI=1S/C10H11N5.2ClH/c1-2-4-12-8(3-1)10-14-13-9-7-11-5-6-15(9)10;;/h1-4,11H,5-7H2;2*1H
InChIKeySDBSXAVDJOZTQE-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.29
Rot. Bonds1

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

3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (PubChem CID 67454095) has the molecular formula C10H13Cl2N5 and a molecular weight of 274.15 g/mol. Its IUPAC name is 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
PubChem CID67454095
Molecular FormulaC10H13Cl2N5
Molecular Weight274.15 g/mol
Exact Mass273.05
IUPAC Name3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2nnc3n2CCNC3)nc1
InChIInChI=1S/C10H11N5.2ClH/c1-2-4-12-8(3-1)10-14-13-9-7-11-5-6-15(9)10;;/h1-4,11H,5-7H2;2*1H
InChIKeySDBSXAVDJOZTQE-UHFFFAOYSA-N
XLogP1.29
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The IUPAC name of 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride (CID 67454095) is 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride.
What is the SMILES notation for 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The canonical SMILES for 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is Cl.Cl.c1ccc(-c2nnc3n2CCNC3)nc1.
What is the InChIKey of 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
The InChIKey is SDBSXAVDJOZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.2ClH/c1-2-4-12-8(3-1)10-14-13-9-7-11-5-6-15(9)10;;/h1-4,11H,5-7H2;2*1H.
What are the key properties of 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride?
3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride has a molecular weight of 274.15 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;dihydrochloride is sourced from PubChem (CID 67454095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).