3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine

C10H8N4O2 — CID 3042549

IUPAC3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccco2)nnc1-c1ccco1
InChIInChI=1S/C10H8N4O2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2
InChIKeyPHTBIIMLGLUUFZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.51
Rot. Bonds2

About 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine

3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine (PubChem CID 3042549) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine
PubChem CID3042549
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccco2)nnc1-c1ccco1
InChIInChI=1S/C10H8N4O2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2
InChIKeyPHTBIIMLGLUUFZ-UHFFFAOYSA-N
XLogP1.51
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine (CID 3042549) is 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine is Nn1c(-c2ccco2)nnc1-c1ccco1.
What is the InChIKey of 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine?
The InChIKey is PHTBIIMLGLUUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-14-9(7-3-1-5-15-7)12-13-10(14)8-4-2-6-16-8/h1-6H,11H2.
What are the key properties of 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine?
3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine has a molecular weight of 216.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(furan-2-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 3042549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).