3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C9H9N3O — CID 3060512

IUPAC3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1coc(-c2nnc3n2CCC3)c1
InChIInChI=1S/C9H9N3O/c1-4-8-10-11-9(12(8)5-1)7-3-2-6-13-7/h2-3,6H,1,4-5H2
InChIKeyDPRQYVRKLNHWRN-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.48
Rot. Bonds1

About 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 3060512) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID3060512
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1coc(-c2nnc3n2CCC3)c1
InChIInChI=1S/C9H9N3O/c1-4-8-10-11-9(12(8)5-1)7-3-2-6-13-7/h2-3,6H,1,4-5H2
InChIKeyDPRQYVRKLNHWRN-UHFFFAOYSA-N
XLogP1.48
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 3060512) is 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is c1coc(-c2nnc3n2CCC3)c1.
What is the InChIKey of 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is DPRQYVRKLNHWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-4-8-10-11-9(12(8)5-1)7-3-2-6-13-7/h2-3,6H,1,4-5H2.
What are the key properties of 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 175.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 3060512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).