furan;2H-triazole

C6H7N3O — CID 155034317

IUPACfuran;2H-triazole
SMILESc1ccoc1.c1cn[nH]n1
InChIInChI=1S/C4H4O.C2H3N3/c2*1-2-4-5-3-1/h1-4H;1-2H,(H,3,4,5)
InChIKeyXKBSQKRMSXJPGD-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.08
Rot. Bonds

About furan;2H-triazole

furan;2H-triazole (PubChem CID 155034317) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is furan;2H-triazole.

Molecular Properties

Compound Namefuran;2H-triazole
PubChem CID155034317
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Namefuran;2H-triazole
SMILESc1ccoc1.c1cn[nH]n1
InChIInChI=1S/C4H4O.C2H3N3/c2*1-2-4-5-3-1/h1-4H;1-2H,(H,3,4,5)
InChIKeyXKBSQKRMSXJPGD-UHFFFAOYSA-N
XLogP1.08
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan;2H-triazole?
The IUPAC name of furan;2H-triazole (CID 155034317) is furan;2H-triazole.
What is the SMILES notation for furan;2H-triazole?
The canonical SMILES for furan;2H-triazole is c1ccoc1.c1cn[nH]n1.
What is the InChIKey of furan;2H-triazole?
The InChIKey is XKBSQKRMSXJPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C2H3N3/c2*1-2-4-5-3-1/h1-4H;1-2H,(H,3,4,5).
What are the key properties of furan;2H-triazole?
furan;2H-triazole has a molecular weight of 137.14 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;2H-triazole is sourced from PubChem (CID 155034317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).