1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone

C8H8N4O2 — CID 757187

IUPAC1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2ccco2)nc1N
InChIInChI=1S/C8H8N4O2/c1-5(13)12-8(9)10-7(11-12)6-3-2-4-14-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyVNYCGSCCPASPPO-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.78
Rot. Bonds1

About 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone

1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone (PubChem CID 757187) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
PubChem CID757187
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
SMILESCC(=O)n1nc(-c2ccco2)nc1N
InChIInChI=1S/C8H8N4O2/c1-5(13)12-8(9)10-7(11-12)6-3-2-4-14-6/h2-4H,1H3,(H2,9,10,11)
InChIKeyVNYCGSCCPASPPO-UHFFFAOYSA-N
XLogP0.78
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 1084416
1-[5-amino-3-(2-methylphenyl)-1,2,4-triazol-1-yl]ethanone
CID 53003418
1-[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]ethanone
CID 753273
1-[3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-1-yl]-2-phenylethanone
CID 977151
1-[4-[3-[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 23570263
acetic acid;7-(furan-2-yl)-2-pyridin-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170704
4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10587109
4-(furan-2-yl)-11-methyl-3,5,6,8,11-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 57402117
2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-11-yl]-3-methylbutanoic acid
CID 146327882
2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 14031894
8-chloro-2,7-bis(furan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 110170648
[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-(4-methoxyphenyl)methanone
CID 3881211

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone?
The IUPAC name of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone (CID 757187) is 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone?
The canonical SMILES for 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone is CC(=O)n1nc(-c2ccco2)nc1N.
What is the InChIKey of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone?
The InChIKey is VNYCGSCCPASPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-5(13)12-8(9)10-7(11-12)6-3-2-4-14-6/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone?
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone has a molecular weight of 192.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone is sourced from PubChem (CID 757187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).