6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol

C6H9N3O — CID 66489696

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol
SMILESOCc1nnc2n1CCC2
InChIInChI=1S/C6H9N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h10H,1-4H2
InChIKeySMLUMNDDAXMDJJ-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.28
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol (PubChem CID 66489696) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol
PubChem CID66489696
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol
SMILESOCc1nnc2n1CCC2
InChIInChI=1S/C6H9N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h10H,1-4H2
InChIKeySMLUMNDDAXMDJJ-UHFFFAOYSA-N
XLogP-0.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol (CID 66489696) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol is OCc1nnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol?
The InChIKey is SMLUMNDDAXMDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c10-4-6-8-7-5-2-1-3-9(5)6/h10H,1-4H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol has a molecular weight of 139.16 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethanol is sourced from PubChem (CID 66489696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).