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

C10H10N4O2 — CID 84683520

IUPAC7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2nc(C(=O)O)cc(C3CC3)n2n1
InChIInChI=1S/C10H10N4O2/c1-5-11-10-12-7(9(15)16)4-8(6-2-3-6)14(10)13-5/h4,6H,2-3H2,1H3,(H,15,16)
InChIKeyZJMPLRJPDYYODQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.01
Rot. Bonds2

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

7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 84683520) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID84683520
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCc1nc2nc(C(=O)O)cc(C3CC3)n2n1
InChIInChI=1S/C10H10N4O2/c1-5-11-10-12-7(9(15)16)4-8(6-2-3-6)14(10)13-5/h4,6H,2-3H2,1H3,(H,15,16)
InChIKeyZJMPLRJPDYYODQ-UHFFFAOYSA-N
XLogP1.01
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 84683520) is 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1nc2nc(C(=O)O)cc(C3CC3)n2n1.
What is the InChIKey of 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is ZJMPLRJPDYYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-5-11-10-12-7(9(15)16)4-8(6-2-3-6)14(10)13-5/h4,6H,2-3H2,1H3,(H,15,16).
What are the key properties of 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 84683520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).