3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

C19H24ClN5O — CID 120826038

IUPAC3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.c1ccc2c(CN3CCC(c4nnc5n4CCNC5)CC3)coc2c1
InChIInChI=1S/C19H23N5O.ClH/c1-2-4-17-16(3-1)15(13-25-17)12-23-8-5-14(6-9-23)19-22-21-18-11-20-7-10-24(18)19;/h1-4,13-14,20H,5-12H2;1H
InChIKeyVNTWSVPHLPWQNV-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.93
Rot. Bonds3

About 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (PubChem CID 120826038) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
PubChem CID120826038
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
SMILESCl.c1ccc2c(CN3CCC(c4nnc5n4CCNC5)CC3)coc2c1
InChIInChI=1S/C19H23N5O.ClH/c1-2-4-17-16(3-1)15(13-25-17)12-23-8-5-14(6-9-23)19-22-21-18-11-20-7-10-24(18)19;/h1-4,13-14,20H,5-12H2;1H
InChIKeyVNTWSVPHLPWQNV-UHFFFAOYSA-N
XLogP2.93
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The IUPAC name of 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride (CID 120826038) is 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride.
What is the SMILES notation for 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The canonical SMILES for 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is Cl.c1ccc2c(CN3CCC(c4nnc5n4CCNC5)CC3)coc2c1.
What is the InChIKey of 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
The InChIKey is VNTWSVPHLPWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.ClH/c1-2-4-17-16(3-1)15(13-25-17)12-23-8-5-14(6-9-23)19-22-21-18-11-20-7-10-24(18)19;/h1-4,13-14,20H,5-12H2;1H.
What are the key properties of 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride?
3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride has a molecular weight of 373.89 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride is sourced from PubChem (CID 120826038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).