7H-pyrrolo[1,2-b][1,2,4]triazole

C5H5N3 — CID 139833631

IUPAC7H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC1=Cn2ncnc2C1
InChIInChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1,3-4H,2H2
InChIKeyPIXJSUVJVFQGGJ-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.30
Rot. Bonds

About 7H-pyrrolo[1,2-b][1,2,4]triazole

7H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 139833631) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 7H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name7H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID139833631
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name7H-pyrrolo[1,2-b][1,2,4]triazole
SMILESC1=Cn2ncnc2C1
InChIInChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1,3-4H,2H2
InChIKeyPIXJSUVJVFQGGJ-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-Allyl-4-methyl-1,2,4-triazole
CID 129875053
3-methyl-7H-pyrrolo[2,1-c][1,2,4]triazole
CID 20722811
5H-pyrrolo[1,2-b][1,2,4]triazole
CID 22630677
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
9H-[1,2,4]triazolo[1,5-a]azepine
CID 57200916
1-Ethenyl-5-propan-2-yl-1,2,4-triazole
CID 58336971
1-Hydroxy-3-prop-2-enyl-1,2,4-triazole
CID 89303572
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
9H-[1,2,4]triazolo[4,3-a]azepine
CID 91201848
7,8-Dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117906456
7,8-Dihydro-[1,2,4]triazolo[4,3-a]pyridine
CID 118369185
N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 118674821

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of 7H-pyrrolo[1,2-b][1,2,4]triazole (CID 139833631) is 7H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for 7H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for 7H-pyrrolo[1,2-b][1,2,4]triazole is C1=Cn2ncnc2C1.
What is the InChIKey of 7H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is PIXJSUVJVFQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-5-6-4-7-8(5)3-1/h1,3-4H,2H2.
What are the key properties of 7H-pyrrolo[1,2-b][1,2,4]triazole?
7H-pyrrolo[1,2-b][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 7H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 139833631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).