7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

C9H8N4O2 — CID 84672120

IUPAC7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2ncnn2c1C1CC1
InChIInChI=1S/C9H8N4O2/c14-8(15)6-3-10-9-11-4-12-13(9)7(6)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeySMIIXLQUPJWUKC-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.70
Rot. Bonds2

About 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid

7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84672120) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84672120
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESO=C(O)c1cnc2ncnn2c1C1CC1
InChIInChI=1S/C9H8N4O2/c14-8(15)6-3-10-9-11-4-12-13(9)7(6)5-1-2-5/h3-5H,1-2H2,(H,14,15)
InChIKeySMIIXLQUPJWUKC-UHFFFAOYSA-N
XLogP0.70
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84672120) is 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is O=C(O)c1cnc2ncnn2c1C1CC1.
What is the InChIKey of 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is SMIIXLQUPJWUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8(15)6-3-10-9-11-4-12-13(9)7(6)5-1-2-5/h3-5H,1-2H2,(H,14,15).
What are the key properties of 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid?
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 204.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84672120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).