3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol

C8H13N3O — CID 24688423

IUPAC3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol
SMILESOCCCc1nnc2n1CCC2
InChIInChI=1S/C8H13N3O/c12-6-2-4-8-10-9-7-3-1-5-11(7)8/h12H,1-6H2
InChIKeyOXNWVEMUTCITOD-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.15
Rot. Bonds3

About 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol

3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol (PubChem CID 24688423) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol
PubChem CID24688423
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol
SMILESOCCCc1nnc2n1CCC2
InChIInChI=1S/C8H13N3O/c12-6-2-4-8-10-9-7-3-1-5-11(7)8/h12H,1-6H2
InChIKeyOXNWVEMUTCITOD-UHFFFAOYSA-N
XLogP0.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol?
The IUPAC name of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol (CID 24688423) is 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol?
The canonical SMILES for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol is OCCCc1nnc2n1CCC2.
What is the InChIKey of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol?
The InChIKey is OXNWVEMUTCITOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-6-2-4-8-10-9-7-3-1-5-11(7)8/h12H,1-6H2.
What are the key properties of 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol?
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)propan-1-ol is sourced from PubChem (CID 24688423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).