pyrrolo[2,1-c][1,2,4]triazin-4-amine

C6H6N4 — CID 45087588

IUPACpyrrolo[2,1-c][1,2,4]triazin-4-amine
SMILESNc1cnnc2cccn12
InChIInChI=1S/C6H6N4/c7-5-4-8-9-6-2-1-3-10(5)6/h1-4H,7H2
InChIKeyBNXCBQYIDHTAFZ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.31
Rot. Bonds

About pyrrolo[2,1-c][1,2,4]triazin-4-amine

pyrrolo[2,1-c][1,2,4]triazin-4-amine (PubChem CID 45087588) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is pyrrolo[2,1-c][1,2,4]triazin-4-amine.

Molecular Properties

Compound Namepyrrolo[2,1-c][1,2,4]triazin-4-amine
PubChem CID45087588
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Namepyrrolo[2,1-c][1,2,4]triazin-4-amine
SMILESNc1cnnc2cccn12
InChIInChI=1S/C6H6N4/c7-5-4-8-9-6-2-1-3-10(5)6/h1-4H,7H2
InChIKeyBNXCBQYIDHTAFZ-UHFFFAOYSA-N
XLogP0.31
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,1-c][1,2,4]triazin-4-amine?
The IUPAC name of pyrrolo[2,1-c][1,2,4]triazin-4-amine (CID 45087588) is pyrrolo[2,1-c][1,2,4]triazin-4-amine.
What is the SMILES notation for pyrrolo[2,1-c][1,2,4]triazin-4-amine?
The canonical SMILES for pyrrolo[2,1-c][1,2,4]triazin-4-amine is Nc1cnnc2cccn12.
What is the InChIKey of pyrrolo[2,1-c][1,2,4]triazin-4-amine?
The InChIKey is BNXCBQYIDHTAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c7-5-4-8-9-6-2-1-3-10(5)6/h1-4H,7H2.
What are the key properties of pyrrolo[2,1-c][1,2,4]triazin-4-amine?
pyrrolo[2,1-c][1,2,4]triazin-4-amine has a molecular weight of 134.14 g/mol, XLogP of 0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,1-c][1,2,4]triazin-4-amine is sourced from PubChem (CID 45087588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).