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

C6H6N4O — CID 10034780

IUPAC5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyPXCDIRKSCUAMKA-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.65
Rot. Bonds1

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

5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 10034780) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID10034780
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10)
InChIKeyPXCDIRKSCUAMKA-UHFFFAOYSA-N
XLogP0.65
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (CID 10034780) is 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is PXCDIRKSCUAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-6-8-5(9-10-6)4-2-1-3-11-4/h1-3H,(H3,7,8,9,10).
What are the key properties of 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
5-(furan-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 150.14 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 10034780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).