4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine

C9H12N6 — CID 785951

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(C)nc(N)n2)n1
InChIInChI=1S/C9H12N6/c1-5-4-6(2)15(14-5)9-12-7(3)11-8(10)13-9/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyWTIMSILRLMYPHX-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.56
Rot. Bonds1

About 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine

4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 785951) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID785951
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1cc(C)n(-c2nc(C)nc(N)n2)n1
InChIInChI=1S/C9H12N6/c1-5-4-6(2)15(14-5)9-12-7(3)11-8(10)13-9/h4H,1-3H3,(H2,10,11,12,13)
InChIKeyWTIMSILRLMYPHX-UHFFFAOYSA-N
XLogP0.56
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine (CID 785951) is 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine is Cc1cc(C)n(-c2nc(C)nc(N)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is WTIMSILRLMYPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c1-5-4-6(2)15(14-5)9-12-7(3)11-8(10)13-9/h4H,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine?
4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 204.24 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 785951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).