4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C11H17N7S — CID 112667910

IUPAC4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCSCC(C)N(C)c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N7S/c1-8(7-19-3)17(2)10-14-9(12)15-11(16-10)18-6-4-5-13-18/h4-6,8H,7H2,1-3H3,(H2,12,14,15,16)
InChIKeyHNVBPIWNZYLUIB-UHFFFAOYSA-N
MW279.37 g/mol
LogP0.83
Rot. Bonds5

About 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 112667910) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID112667910
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCSCC(C)N(C)c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C11H17N7S/c1-8(7-19-3)17(2)10-14-9(12)15-11(16-10)18-6-4-5-13-18/h4-6,8H,7H2,1-3H3,(H2,12,14,15,16)
InChIKeyHNVBPIWNZYLUIB-UHFFFAOYSA-N
XLogP0.83
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-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 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 112667910) is 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CSCC(C)N(C)c1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is HNVBPIWNZYLUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-8(7-19-3)17(2)10-14-9(12)15-11(16-10)18-6-4-5-13-18/h4-6,8H,7H2,1-3H3,(H2,12,14,15,16).
What are the key properties of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112667910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).