1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol

C16H23N7O — CID 121320475

IUPAC1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol
SMILESCn1nccc1-c1nc(C(C)(C)C)nc2c1nnn2CC(C)(C)O
InChIInChI=1S/C16H23N7O/c1-15(2,3)14-18-11(10-7-8-17-22(10)6)12-13(19-14)23(21-20-12)9-16(4,5)24/h7-8,24H,9H2,1-6H3
InChIKeyJPQKGLNQPYOQFC-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.69
Rot. Bonds3

About 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol

1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol (PubChem CID 121320475) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol
PubChem CID121320475
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol
SMILESCn1nccc1-c1nc(C(C)(C)C)nc2c1nnn2CC(C)(C)O
InChIInChI=1S/C16H23N7O/c1-15(2,3)14-18-11(10-7-8-17-22(10)6)12-13(19-14)23(21-20-12)9-16(4,5)24/h7-8,24H,9H2,1-6H3
InChIKeyJPQKGLNQPYOQFC-UHFFFAOYSA-N
XLogP1.69
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol (CID 121320475) is 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol is Cn1nccc1-c1nc(C(C)(C)C)nc2c1nnn2CC(C)(C)O.
What is the InChIKey of 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol?
The InChIKey is JPQKGLNQPYOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-15(2,3)14-18-11(10-7-8-17-22(10)6)12-13(19-14)23(21-20-12)9-16(4,5)24/h7-8,24H,9H2,1-6H3.
What are the key properties of 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol?
1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol has a molecular weight of 329.41 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-tert-butyl-7-(2-methylpyrazol-3-yl)triazolo[4,5-d]pyrimidin-3-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 121320475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).