5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one

C14H13N5O2 — CID 154442718

IUPAC5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESCCC(C)Oc1ccccc1C1=NC(=O)C2=NN=NC2=N1
InChIInChI=1S/C14H13N5O2/c1-3-8(2)21-10-7-5-4-6-9(10)12-15-13-11(14(20)16-12)17-19-18-13/h4-8H,3H2,1-2H3
InChIKeySHCZZBSPOOZDPL-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.37
Rot. Bonds4

About 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one

5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one (PubChem CID 154442718) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one
PubChem CID154442718
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one
SMILESCCC(C)Oc1ccccc1C1=NC(=O)C2=NN=NC2=N1
InChIInChI=1S/C14H13N5O2/c1-3-8(2)21-10-7-5-4-6-9(10)12-15-13-11(14(20)16-12)17-19-18-13/h4-8H,3H2,1-2H3
InChIKeySHCZZBSPOOZDPL-UHFFFAOYSA-N
XLogP2.37
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one (CID 154442718) is 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one is CCC(C)Oc1ccccc1C1=NC(=O)C2=NN=NC2=N1.
What is the InChIKey of 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is SHCZZBSPOOZDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-3-8(2)21-10-7-5-4-6-9(10)12-15-13-11(14(20)16-12)17-19-18-13/h4-8H,3H2,1-2H3.
What are the key properties of 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one?
5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 283.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butan-2-yloxyphenyl)triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 154442718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).