7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C10H12N4O2 — CID 6497231

IUPAC7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C10H12N4O2/c1-10(2,3)7-4-6(8(15)16)13-9-11-5-12-14(7)9/h4-5H,1-3H3,(H,15,16)
InChIKeyPRAOSNPWIAYNEB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.12
Rot. Bonds1

About 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 6497231) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID6497231
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)nc2ncnn12
InChIInChI=1S/C10H12N4O2/c1-10(2,3)7-4-6(8(15)16)13-9-11-5-12-14(7)9/h4-5H,1-3H3,(H,15,16)
InChIKeyPRAOSNPWIAYNEB-UHFFFAOYSA-N
XLogP1.12
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 6497231) is 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)(C)c1cc(C(=O)O)nc2ncnn12.
What is the InChIKey of 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is PRAOSNPWIAYNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-10(2,3)7-4-6(8(15)16)13-9-11-5-12-14(7)9/h4-5H,1-3H3,(H,15,16).
What are the key properties of 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 6497231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).