2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

C17H18N8OS — CID 11164956

IUPAC2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3ccsc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C17H18N8OS/c18-15-20-16(21-17-19-14(22-25(15)17)13-2-1-8-26-13)24-6-4-23(5-7-24)10-12-3-9-27-11-12/h1-3,8-9,11H,4-7,10H2,(H2,18,19,20,21,22)
InChIKeyOFEHHNZWWNPGAN-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.75
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine

2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 11164956) has the molecular formula C17H18N8OS and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID11164956
Molecular FormulaC17H18N8OS
Molecular Weight382.45 g/mol
Exact Mass382.13
IUPAC Name2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESNc1nc(N2CCN(Cc3ccsc3)CC2)nc2nc(-c3ccco3)nn12
InChIInChI=1S/C17H18N8OS/c18-15-20-16(21-17-19-14(22-25(15)17)13-2-1-8-26-13)24-6-4-23(5-7-24)10-12-3-9-27-11-12/h1-3,8-9,11H,4-7,10H2,(H2,18,19,20,21,22)
InChIKeyOFEHHNZWWNPGAN-UHFFFAOYSA-N
XLogP1.75
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine with MolForge

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Related Compounds

2-(Furan-2-Yl)-N~5~-[2-(4-Methylpiperazin-1-Yl)ethyl][1,2,4]triazolo[1,5-A][1,3,5]triazine-5,7-Diamine
CID 121225598
4-[[5-(Furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 1267782
2-Furan-2-yl-5-[4-(2,4,6-trifluoro-benzyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 10410420
5-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
CID 11163183
2-Furan-2-yl-5-(4-[1,2,3]thiadiazol-4-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11222837
(S)-2-furan-2-yl-5-(hexahydropyrrolo[1,2-a]pyrazin-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11244278
2-Furan-2-yl-5-(4-furan-2-ylmethyl-piperazin-1-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11257094
(S,S)-5-(3-benzyl-hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11418613
2-Furan-2-yl-5-[4-(2-methylsulfanyl-thiophen-3-ylmethyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11487190
5-(4-Benzyl-piperazin-1-yl)-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11199731
2-Furan-2-yl-5-[4-(3-phenyl-propyl)-piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11304255
5-[4-(2,6-Difluoro-benzyl)-piperazin-1-yl]-2-furan-2-yl-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
CID 11384372

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 11164956) is 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is Nc1nc(N2CCN(Cc3ccsc3)CC2)nc2nc(-c3ccco3)nn12.
What is the InChIKey of 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is OFEHHNZWWNPGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8OS/c18-15-20-16(21-17-19-14(22-25(15)17)13-2-1-8-26-13)24-6-4-23(5-7-24)10-12-3-9-27-11-12/h1-3,8-9,11H,4-7,10H2,(H2,18,19,20,21,22).
What are the key properties of 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 382.45 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 11164956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).