methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride

C17H24ClN5O3 — CID 120826430

IUPACmethyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(CN2CCC(c3nnc4n3CCNC4)CC2)c1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-24-17(23)13-8-14(25-11-13)10-21-5-2-12(3-6-21)16-20-19-15-9-18-4-7-22(15)16;/h8,11-12,18H,2-7,9-10H2,1H3;1H
InChIKeyHCKUROADDQYAIA-UHFFFAOYSA-N
MW381.86 g/mol
LogP1.56
Rot. Bonds4

About methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride

methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride (PubChem CID 120826430) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride
PubChem CID120826430
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Namemethyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(CN2CCC(c3nnc4n3CCNC4)CC2)c1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-24-17(23)13-8-14(25-11-13)10-21-5-2-12(3-6-21)16-20-19-15-9-18-4-7-22(15)16;/h8,11-12,18H,2-7,9-10H2,1H3;1H
InChIKeyHCKUROADDQYAIA-UHFFFAOYSA-N
XLogP1.56
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride (CID 120826430) is methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride is COC(=O)c1coc(CN2CCC(c3nnc4n3CCNC4)CC2)c1.Cl.
What is the InChIKey of methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride?
The InChIKey is HCKUROADDQYAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.ClH/c1-24-17(23)13-8-14(25-11-13)10-21-5-2-12(3-6-21)16-20-19-15-9-18-4-7-22(15)16;/h8,11-12,18H,2-7,9-10H2,1H3;1H.
What are the key properties of methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride?
methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]furan-3-carboxylate;hydrochloride is sourced from PubChem (CID 120826430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).