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

C5H5N3 — CID 22016110

IUPAC1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1cc2[nH]ncn2c1
InChIInChI=1S/C5H5N3/c1-2-5-7-6-4-8(5)3-1/h1-4,7H
InChIKeyDBULOYHYISLZTL-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.66
Rot. Bonds

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

1H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 22016110) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 1H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name1H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID22016110
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name1H-pyrrolo[2,1-c][1,2,4]triazole
SMILESc1cc2[nH]ncn2c1
InChIInChI=1S/C5H5N3/c1-2-5-7-6-4-8(5)3-1/h1-4,7H
InChIKeyDBULOYHYISLZTL-UHFFFAOYSA-N
XLogP0.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1h-Pyrrolo [1,2-b]-sym-triazole
CID 21224061
Pyrrolo[1,2-d]tetrazole
CID 21226033
3-(Azol-1-yl)pyrazole
CID 53215354
1H-pyrrolo[2,1-e][1,2,4,3]triazaborole
CID 91553838
3,6-Dimethyl-1,2-diaza-3-azonia-4-azanidabicyclo[3.3.0]octa-2,5,7-triene
CID 10510906
5-(1H-Pyrrol-1-yl)-1H-1,2,4-triazole
CID 18359717
3,6,7-trimethyl-1H-pyrrolo[2,1-c][1,2,4]triazole
CID 22976801
2,6,7-trimethyl-3H-pyrrolo[1,2-b][1,2,4]triazole
CID 22976819
1,2-Dimethylpyrrolo[1,2-b][1,2,4]triazole
CID 53733456
1-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 54369166
3-propan-2-yl-1H-pyrrolo[2,1-c][1,2,4]triazole
CID 58784211
1-Propan-2-ylpyrrolo[1,2-b][1,2,4]triazole
CID 59421440

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 1H-pyrrolo[2,1-c][1,2,4]triazole (CID 22016110) is 1H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 1H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 1H-pyrrolo[2,1-c][1,2,4]triazole is c1cc2[nH]ncn2c1.
What is the InChIKey of 1H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is DBULOYHYISLZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-5-7-6-4-8(5)3-1/h1-4,7H.
What are the key properties of 1H-pyrrolo[2,1-c][1,2,4]triazole?
1H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 107.12 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 22016110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).