6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C5H7N3 — CID 51072271

IUPAC6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1nnc2n1CCC2
InChIInChI=1S/C5H7N3/c1-2-5-7-6-4-8(5)3-1/h4H,1-3H2
InChIKeyBRXYDRIZVHRXCQ-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.22
Rot. Bonds

About 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 51072271) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID51072271
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1nnc2n1CCC2
InChIInChI=1S/C5H7N3/c1-2-5-7-6-4-8(5)3-1/h4H,1-3H2
InChIKeyBRXYDRIZVHRXCQ-UHFFFAOYSA-N
XLogP0.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 51072271) is 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is c1nnc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is BRXYDRIZVHRXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-5-7-6-4-8(5)3-1/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 109.13 g/mol, XLogP of 0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 51072271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).