methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C10H18N6O3S — CID 3054725

IUPACmethanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCS(=O)(=O)O.Cc1cc2nc(N)nc(NC(C)C)n2n1
InChIInChI=1S/C9H14N6.CH4O3S/c1-5(2)11-9-13-8(10)12-7-4-6(3)14-15(7)9;1-5(2,3)4/h4-5H,1-3H3,(H3,10,11,12,13);1H3,(H,2,3,4)
InChIKeyOQNOCTVXOUXZDB-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.34
Rot. Bonds2

About methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 3054725) has the molecular formula C10H18N6O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Namemethanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID3054725
Molecular FormulaC10H18N6O3S
Molecular Weight302.36 g/mol
Exact Mass302.12
IUPAC Namemethanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCS(=O)(=O)O.Cc1cc2nc(N)nc(NC(C)C)n2n1
InChIInChI=1S/C9H14N6.CH4O3S/c1-5(2)11-9-13-8(10)12-7-4-6(3)14-15(7)9;1-5(2,3)4/h4-5H,1-3H3,(H3,10,11,12,13);1H3,(H,2,3,4)
InChIKeyOQNOCTVXOUXZDB-UHFFFAOYSA-N
XLogP0.34
TPSA135.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 3054725) is methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CS(=O)(=O)O.Cc1cc2nc(N)nc(NC(C)C)n2n1.
What is the InChIKey of methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is OQNOCTVXOUXZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6.CH4O3S/c1-5(2)11-9-13-8(10)12-7-4-6(3)14-15(7)9;1-5(2,3)4/h4-5H,1-3H3,(H3,10,11,12,13);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 302.36 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;7-methyl-4-N-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 3054725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).