2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid

C10H10N4O2 — CID 62874346

IUPAC2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc2nnc(C3CC3C(=O)O)n2cn1
InChIInChI=1S/C10H10N4O2/c1-5-2-8-12-13-9(14(8)4-11-5)6-3-7(6)10(15)16/h2,4,6-7H,3H2,1H3,(H,15,16)
InChIKeySWAUWFBORLYVPZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.62
Rot. Bonds2

About 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid

2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 62874346) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
PubChem CID62874346
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1cc2nnc(C3CC3C(=O)O)n2cn1
InChIInChI=1S/C10H10N4O2/c1-5-2-8-12-13-9(14(8)4-11-5)6-3-7(6)10(15)16/h2,4,6-7H,3H2,1H3,(H,15,16)
InChIKeySWAUWFBORLYVPZ-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid (CID 62874346) is 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid is Cc1cc2nnc(C3CC3C(=O)O)n2cn1.
What is the InChIKey of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is SWAUWFBORLYVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-5-2-8-12-13-9(14(8)4-11-5)6-3-7(6)10(15)16/h2,4,6-7H,3H2,1H3,(H,15,16).
What are the key properties of 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid?
2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62874346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).