7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

C9H14N6 — CID 2801306

IUPAC7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)(C)c1cc2nc(N)nc(N)n2n1
InChIInChI=1S/C9H14N6/c1-9(2,3)5-4-6-12-7(10)13-8(11)15(6)14-5/h4H,1-3H3,(H4,10,11,12,13)
InChIKeyXPGVGERGSABIEK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.59
Rot. Bonds

About 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine

7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (PubChem CID 2801306) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.

Molecular Properties

Compound Name7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
PubChem CID2801306
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
SMILESCC(C)(C)c1cc2nc(N)nc(N)n2n1
InChIInChI=1S/C9H14N6/c1-9(2,3)5-4-6-12-7(10)13-8(11)15(6)14-5/h4H,1-3H3,(H4,10,11,12,13)
InChIKeyXPGVGERGSABIEK-UHFFFAOYSA-N
XLogP0.59
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The IUPAC name of 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine (CID 2801306) is 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine.
What is the SMILES notation for 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The canonical SMILES for 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is CC(C)(C)c1cc2nc(N)nc(N)n2n1.
What is the InChIKey of 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
The InChIKey is XPGVGERGSABIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-9(2,3)5-4-6-12-7(10)13-8(11)15(6)14-5/h4H,1-3H3,(H4,10,11,12,13).
What are the key properties of 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine?
7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine has a molecular weight of 206.25 g/mol, XLogP of 0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine is sourced from PubChem (CID 2801306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).