4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine

C11H16N6 — CID 65199483

IUPAC4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCn1ccc(-c2nc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C11H16N6/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-6-17(4)16-7/h5-6H,1-4H3,(H2,12,13,14,15)
InChIKeyVJXXNQIGORJEAX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.15
Rot. Bonds1

About 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine

4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine (PubChem CID 65199483) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
PubChem CID65199483
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine
SMILESCn1ccc(-c2nc(N)nc(C(C)(C)C)n2)n1
InChIInChI=1S/C11H16N6/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-6-17(4)16-7/h5-6H,1-4H3,(H2,12,13,14,15)
InChIKeyVJXXNQIGORJEAX-UHFFFAOYSA-N
XLogP1.15
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine (CID 65199483) is 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine is Cn1ccc(-c2nc(N)nc(C(C)(C)C)n2)n1.
What is the InChIKey of 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is VJXXNQIGORJEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-11(2,3)9-13-8(14-10(12)15-9)7-5-6-17(4)16-7/h5-6H,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine?
4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-(1-methylpyrazol-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 65199483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).