[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone

C17H19N5O2S — CID 154833972

IUPAC[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone
SMILESO=C(c1cc2occc2s1)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C17H19N5O2S/c23-17(14-9-12-13(25-14)3-8-24-12)21-5-1-11(2-6-21)16-20-19-15-10-18-4-7-22(15)16/h3,8-9,11,18H,1-2,4-7,10H2
InChIKeyTTXRUVLHEMVLAP-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.21
Rot. Bonds2

About [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone

[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone (PubChem CID 154833972) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone.

Molecular Properties

Compound Name[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone
PubChem CID154833972
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone
SMILESO=C(c1cc2occc2s1)N1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C17H19N5O2S/c23-17(14-9-12-13(25-14)3-8-24-12)21-5-1-11(2-6-21)16-20-19-15-10-18-4-7-22(15)16/h3,8-9,11,18H,1-2,4-7,10H2
InChIKeyTTXRUVLHEMVLAP-UHFFFAOYSA-N
XLogP2.21
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone with MolForge

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Related Compounds

(5-methyl-4-nitrothiophen-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823174
(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823597
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120824242
1,3-benzodioxol-5-yl-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823239
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824241
(5-bromothiophen-3-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823172
(5-bromo-3-methylfuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824231
(2,4-dichlorophenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823234
(5-chloro-1-benzofuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824251
[3-(dimethylamino)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823752
2-(5-methylthiophen-2-yl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120833417
(7-methyl-1-benzofuran-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824207

Frequently Asked Questions

What is the IUPAC name of [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone?
The IUPAC name of [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone (CID 154833972) is [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone.
What is the SMILES notation for [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone?
The canonical SMILES for [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone is O=C(c1cc2occc2s1)N1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone?
The InChIKey is TTXRUVLHEMVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-17(14-9-12-13(25-14)3-8-24-12)21-5-1-11(2-6-21)16-20-19-15-10-18-4-7-22(15)16/h3,8-9,11,18H,1-2,4-7,10H2.
What are the key properties of [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone?
[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone has a molecular weight of 357.44 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]-thieno[3,2-b]furan-5-ylmethanone is sourced from PubChem (CID 154833972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).