1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid

C8H9N3O2 — CID 96629349

IUPAC1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1cnnc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C8H9N3O2/c1-5-4-9-11-6(10-5)8(2-3-8)7(12)13/h4H,2-3H2,1H3,(H,12,13)
InChIKeyDWBREDAHMQAGIZ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.30
Rot. Bonds2

About 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid

1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid (PubChem CID 96629349) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid
PubChem CID96629349
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid
SMILESCc1cnnc(C2(C(=O)O)CC2)n1
InChIInChI=1S/C8H9N3O2/c1-5-4-9-11-6(10-5)8(2-3-8)7(12)13/h4H,2-3H2,1H3,(H,12,13)
InChIKeyDWBREDAHMQAGIZ-UHFFFAOYSA-N
XLogP0.30
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid (CID 96629349) is 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid is Cc1cnnc(C2(C(=O)O)CC2)n1.
What is the InChIKey of 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid?
The InChIKey is DWBREDAHMQAGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-5-4-9-11-6(10-5)8(2-3-8)7(12)13/h4H,2-3H2,1H3,(H,12,13).
What are the key properties of 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid?
1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid has a molecular weight of 179.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-triazin-3-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 96629349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).