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

C9H13ClN6 — CID 3054727

IUPAC7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESC=CCNc1nc(N)nc2cc(C)nn12.Cl
InChIInChI=1S/C9H12N6.ClH/c1-3-4-11-9-13-8(10)12-7-5-6(2)14-15(7)9;/h3,5H,1,4H2,2H3,(H3,10,11,12,13);1H
InChIKeyCUYFDSVWFSYUNF-UHFFFAOYSA-N
MW240.70 g/mol
LogP1.03
Rot. Bonds3

About 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride

7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (PubChem CID 3054727) has the molecular formula C9H13ClN6 and a molecular weight of 240.70 g/mol. Its IUPAC name is 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
PubChem CID3054727
Molecular FormulaC9H13ClN6
Molecular Weight240.70 g/mol
Exact Mass240.09
IUPAC Name7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride
SMILESC=CCNc1nc(N)nc2cc(C)nn12.Cl
InChIInChI=1S/C9H12N6.ClH/c1-3-4-11-9-13-8(10)12-7-5-6(2)14-15(7)9;/h3,5H,1,4H2,2H3,(H3,10,11,12,13);1H
InChIKeyCUYFDSVWFSYUNF-UHFFFAOYSA-N
XLogP1.03
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 51.03
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 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The IUPAC name of 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride (CID 3054727) is 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is C=CCNc1nc(N)nc2cc(C)nn12.Cl.
What is the InChIKey of 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
The InChIKey is CUYFDSVWFSYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6.ClH/c1-3-4-11-9-13-8(10)12-7-5-6(2)14-15(7)9;/h3,5H,1,4H2,2H3,(H3,10,11,12,13);1H.
What are the key properties of 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride?
7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride has a molecular weight of 240.70 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-N-prop-2-enylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 3054727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).