1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid

C10H10N4O2 — CID 84786005

IUPAC1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid
SMILESCc1nc2ncc(C3(C(=O)O)CC3)cn2n1
InChIInChI=1S/C10H10N4O2/c1-6-12-9-11-4-7(5-14(9)13-6)10(2-3-10)8(15)16/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyQVFOSZSLENMSLW-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid

1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid (PubChem CID 84786005) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid
PubChem CID84786005
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid
SMILESCc1nc2ncc(C3(C(=O)O)CC3)cn2n1
InChIInChI=1S/C10H10N4O2/c1-6-12-9-11-4-7(5-14(9)13-6)10(2-3-10)8(15)16/h4-5H,2-3H2,1H3,(H,15,16)
InChIKeyQVFOSZSLENMSLW-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid (CID 84786005) is 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid is Cc1nc2ncc(C3(C(=O)O)CC3)cn2n1.
What is the InChIKey of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
The InChIKey is QVFOSZSLENMSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-12-9-11-4-7(5-14(9)13-6)10(2-3-10)8(15)16/h4-5H,2-3H2,1H3,(H,15,16).
What are the key properties of 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid?
1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84786005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).