pyrrole-1,2,5-triamine

C4H8N4 — CID 55283951

IUPACpyrrole-1,2,5-triamine
SMILESNc1ccc(N)n1N
InChIInChI=1S/C4H8N4/c5-3-1-2-4(6)8(3)7/h1-2H,5-7H2
InChIKeyKRUUURHEDZYKOS-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.63
Rot. Bonds

About pyrrole-1,2,5-triamine

pyrrole-1,2,5-triamine (PubChem CID 55283951) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is pyrrole-1,2,5-triamine.

Molecular Properties

Compound Namepyrrole-1,2,5-triamine
PubChem CID55283951
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Namepyrrole-1,2,5-triamine
SMILESNc1ccc(N)n1N
InChIInChI=1S/C4H8N4/c5-3-1-2-4(6)8(3)7/h1-2H,5-7H2
InChIKeyKRUUURHEDZYKOS-UHFFFAOYSA-N
XLogP-0.63
TPSA82.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrole-1,2,5-triamine?
The IUPAC name of pyrrole-1,2,5-triamine (CID 55283951) is pyrrole-1,2,5-triamine.
What is the SMILES notation for pyrrole-1,2,5-triamine?
The canonical SMILES for pyrrole-1,2,5-triamine is Nc1ccc(N)n1N.
What is the InChIKey of pyrrole-1,2,5-triamine?
The InChIKey is KRUUURHEDZYKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-3-1-2-4(6)8(3)7/h1-2H,5-7H2.
What are the key properties of pyrrole-1,2,5-triamine?
pyrrole-1,2,5-triamine has a molecular weight of 112.14 g/mol, XLogP of -0.63, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrole-1,2,5-triamine is sourced from PubChem (CID 55283951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).