pyrano[3,4-c]pyrazol-4-amine

C6H5N3O — CID 163090067

IUPACpyrano[3,4-c]pyrazol-4-amine
SMILESNc1cocc2nncc1-2
InChIInChI=1S/C6H5N3O/c7-5-2-10-3-6-4(5)1-8-9-6/h1-3H,7H2
InChIKeyDLFLQVHWAJSIII-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.76
Rot. Bonds

About pyrano[3,4-c]pyrazol-4-amine

pyrano[3,4-c]pyrazol-4-amine (PubChem CID 163090067) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is pyrano[3,4-c]pyrazol-4-amine.

Molecular Properties

Compound Namepyrano[3,4-c]pyrazol-4-amine
PubChem CID163090067
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Namepyrano[3,4-c]pyrazol-4-amine
SMILESNc1cocc2nncc1-2
InChIInChI=1S/C6H5N3O/c7-5-2-10-3-6-4(5)1-8-9-6/h1-3H,7H2
InChIKeyDLFLQVHWAJSIII-UHFFFAOYSA-N
XLogP0.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-c]pyrazol-4-amine?
The IUPAC name of pyrano[3,4-c]pyrazol-4-amine (CID 163090067) is pyrano[3,4-c]pyrazol-4-amine.
What is the SMILES notation for pyrano[3,4-c]pyrazol-4-amine?
The canonical SMILES for pyrano[3,4-c]pyrazol-4-amine is Nc1cocc2nncc1-2.
What is the InChIKey of pyrano[3,4-c]pyrazol-4-amine?
The InChIKey is DLFLQVHWAJSIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-5-2-10-3-6-4(5)1-8-9-6/h1-3H,7H2.
What are the key properties of pyrano[3,4-c]pyrazol-4-amine?
pyrano[3,4-c]pyrazol-4-amine has a molecular weight of 135.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-c]pyrazol-4-amine is sourced from PubChem (CID 163090067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).