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

C8H9N5 — CID 2315252

IUPAC3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1cc(-c2nnc3n2CCC3)[nH]n1
InChIInChI=1S/C8H9N5/c1-2-7-11-12-8(13(7)5-1)6-3-4-9-10-6/h3-4H,1-2,5H2,(H,9,10)
InChIKeyZNCPXDALMBIDGT-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.61
Rot. Bonds1

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

3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 2315252) has the molecular formula C8H9N5 and a molecular weight of 175.20 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID2315252
Molecular FormulaC8H9N5
Molecular Weight175.20 g/mol
Exact Mass175.09
IUPAC Name3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1cc(-c2nnc3n2CCC3)[nH]n1
InChIInChI=1S/C8H9N5/c1-2-7-11-12-8(13(7)5-1)6-3-4-9-10-6/h3-4H,1-2,5H2,(H,9,10)
InChIKeyZNCPXDALMBIDGT-UHFFFAOYSA-N
XLogP0.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 2315252) is 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is c1cc(-c2nnc3n2CCC3)[nH]n1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZNCPXDALMBIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c1-2-7-11-12-8(13(7)5-1)6-3-4-9-10-6/h3-4H,1-2,5H2,(H,9,10).
What are the key properties of 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 175.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 2315252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).