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

C5H5N3 — CID 22630679

IUPAC5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1=Cc2nncn2C1
InChIInChI=1S/C5H5N3/c1-2-5-7-6-4-8(5)3-1/h1-2,4H,3H2
InChIKeyFLRAOFGILYHUHE-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.30
Rot. Bonds

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

5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 22630679) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID22630679
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESC1=Cc2nncn2C1
InChIInChI=1S/C5H5N3/c1-2-5-7-6-4-8(5)3-1/h1-2,4H,3H2
InChIKeyFLRAOFGILYHUHE-UHFFFAOYSA-N
XLogP0.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Difluoromethyl)-4-prop-2-enyl-1,2,4-triazole
CID 171097232
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
3,4-diethyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57189602
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
3-propan-2-yl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 58783642
3-tert-butyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 59825824
3,4-Bis(prop-2-enyl)-1,2,4-triazole
CID 67685086
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
3-methyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89033284
3-ethyl-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 89233363

Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 5H-pyrrolo[2,1-c][1,2,4]triazole (CID 22630679) is 5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 5H-pyrrolo[2,1-c][1,2,4]triazole is C1=Cc2nncn2C1.
What is the InChIKey of 5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is FLRAOFGILYHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-5-7-6-4-8(5)3-1/h1-2,4H,3H2.
What are the key properties of 5H-pyrrolo[2,1-c][1,2,4]triazole?
5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 107.12 g/mol, XLogP of 0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 22630679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).