pyrazolo[4,3-d]triazin-3-amine

C4H4N6 — CID 67783435

IUPACpyrazolo[4,3-d]triazin-3-amine
SMILESNn1cc2nncc-2nn1
InChIInChI=1S/C4H4N6/c5-10-2-4-3(8-9-10)1-6-7-4/h1-2H,5H2
InChIKeyPCELQPKFJDBIQW-UHFFFAOYSA-N
MW136.12 g/mol
LogP-1.11
Rot. Bonds

About pyrazolo[4,3-d]triazin-3-amine

pyrazolo[4,3-d]triazin-3-amine (PubChem CID 67783435) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is pyrazolo[4,3-d]triazin-3-amine.

Molecular Properties

Compound Namepyrazolo[4,3-d]triazin-3-amine
PubChem CID67783435
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Namepyrazolo[4,3-d]triazin-3-amine
SMILESNn1cc2nncc-2nn1
InChIInChI=1S/C4H4N6/c5-10-2-4-3(8-9-10)1-6-7-4/h1-2H,5H2
InChIKeyPCELQPKFJDBIQW-UHFFFAOYSA-N
XLogP-1.11
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[4,3-d]triazin-3-amine?
The IUPAC name of pyrazolo[4,3-d]triazin-3-amine (CID 67783435) is pyrazolo[4,3-d]triazin-3-amine.
What is the SMILES notation for pyrazolo[4,3-d]triazin-3-amine?
The canonical SMILES for pyrazolo[4,3-d]triazin-3-amine is Nn1cc2nncc-2nn1.
What is the InChIKey of pyrazolo[4,3-d]triazin-3-amine?
The InChIKey is PCELQPKFJDBIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6/c5-10-2-4-3(8-9-10)1-6-7-4/h1-2H,5H2.
What are the key properties of pyrazolo[4,3-d]triazin-3-amine?
pyrazolo[4,3-d]triazin-3-amine has a molecular weight of 136.12 g/mol, XLogP of -1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[4,3-d]triazin-3-amine is sourced from PubChem (CID 67783435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).