4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

C8H11ClN6 — CID 3054734

IUPAC4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESC=CCNc1nc(N)nc2ccnn12.Cl
InChIInChI=1S/C8H10N6.ClH/c1-2-4-10-8-13-7(9)12-6-3-5-11-14(6)8;/h2-3,5H,1,4H2,(H3,9,10,12,13);1H
InChIKeyUZTKGPJCGTYPLM-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.73
Rot. Bonds3

About 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (PubChem CID 3054734) has the molecular formula C8H11ClN6 and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
PubChem CID3054734
Molecular FormulaC8H11ClN6
Molecular Weight226.67 g/mol
Exact Mass226.07
IUPAC Name4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESC=CCNc1nc(N)nc2ccnn12.Cl
InChIInChI=1S/C8H10N6.ClH/c1-2-4-10-8-13-7(9)12-6-3-5-11-14(6)8;/h2-3,5H,1,4H2,(H3,9,10,12,13);1H
InChIKeyUZTKGPJCGTYPLM-UHFFFAOYSA-N
XLogP0.73
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The IUPAC name of 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (CID 3054734) is 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is C=CCNc1nc(N)nc2ccnn12.Cl.
What is the InChIKey of 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The InChIKey is UZTKGPJCGTYPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6.ClH/c1-2-4-10-8-13-7(9)12-6-3-5-11-14(6)8;/h2-3,5H,1,4H2,(H3,9,10,12,13);1H.
What are the key properties of 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride has a molecular weight of 226.67 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).