7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride

C11H20ClN5 — CID 120848588

IUPAC7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.c1nc2n(n1)CCN(CC1CCNCC1)C2
InChIInChI=1S/C11H19N5.ClH/c1-3-12-4-2-10(1)7-15-5-6-16-11(8-15)13-9-14-16;/h9-10,12H,1-8H2;1H
InChIKeyYZUGCSMVSKGFOJ-UHFFFAOYSA-N
MW257.77 g/mol
LogP0.52
Rot. Bonds2

About 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride

7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 120848588) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
PubChem CID120848588
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.c1nc2n(n1)CCN(CC1CCNCC1)C2
InChIInChI=1S/C11H19N5.ClH/c1-3-12-4-2-10(1)7-15-5-6-16-11(8-15)13-9-14-16;/h9-10,12H,1-8H2;1H
InChIKeyYZUGCSMVSKGFOJ-UHFFFAOYSA-N
XLogP0.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride (CID 120848588) is 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride is Cl.c1nc2n(n1)CCN(CC1CCNCC1)C2.
What is the InChIKey of 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is YZUGCSMVSKGFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5.ClH/c1-3-12-4-2-10(1)7-15-5-6-16-11(8-15)13-9-14-16;/h9-10,12H,1-8H2;1H.
What are the key properties of 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride?
7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 257.77 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 120848588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).