7H-pyrrolo[3,2-e][1,2,4]triazine

C5H4N4 — CID 66828264

IUPAC7H-pyrrolo[3,2-e][1,2,4]triazine
SMILESc1nnc2[nH]ccc2n1
InChIInChI=1S/C5H4N4/c1-2-6-5-4(1)7-3-8-9-5/h1-3H,(H,6,9)
InChIKeyGYRGIYGAXXSYOQ-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.35
Rot. Bonds

About 7H-pyrrolo[3,2-e][1,2,4]triazine

7H-pyrrolo[3,2-e][1,2,4]triazine (PubChem CID 66828264) has the molecular formula C5H4N4 and a molecular weight of 120.11 g/mol. Its IUPAC name is 7H-pyrrolo[3,2-e][1,2,4]triazine.

Molecular Properties

Compound Name7H-pyrrolo[3,2-e][1,2,4]triazine
PubChem CID66828264
Molecular FormulaC5H4N4
Molecular Weight120.11 g/mol
Exact Mass120.04
IUPAC Name7H-pyrrolo[3,2-e][1,2,4]triazine
SMILESc1nnc2[nH]ccc2n1
InChIInChI=1S/C5H4N4/c1-2-6-5-4(1)7-3-8-9-5/h1-3H,(H,6,9)
InChIKeyGYRGIYGAXXSYOQ-UHFFFAOYSA-N
XLogP0.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[3,2-e][1,2,4]triazine?
The IUPAC name of 7H-pyrrolo[3,2-e][1,2,4]triazine (CID 66828264) is 7H-pyrrolo[3,2-e][1,2,4]triazine.
What is the SMILES notation for 7H-pyrrolo[3,2-e][1,2,4]triazine?
The canonical SMILES for 7H-pyrrolo[3,2-e][1,2,4]triazine is c1nnc2[nH]ccc2n1.
What is the InChIKey of 7H-pyrrolo[3,2-e][1,2,4]triazine?
The InChIKey is GYRGIYGAXXSYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4/c1-2-6-5-4(1)7-3-8-9-5/h1-3H,(H,6,9).
What are the key properties of 7H-pyrrolo[3,2-e][1,2,4]triazine?
7H-pyrrolo[3,2-e][1,2,4]triazine has a molecular weight of 120.11 g/mol, XLogP of 0.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[3,2-e][1,2,4]triazine is sourced from PubChem (CID 66828264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).