5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid

C10H10N4O2 — CID 175349693

IUPAC5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid
SMILESCc1ccc(-n2nnc(C)c2C(=O)O)cn1
InChIInChI=1S/C10H10N4O2/c1-6-3-4-8(5-11-6)14-9(10(15)16)7(2)12-13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyRORKAZBBDGGHNZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.98
Rot. Bonds2

About 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid

5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid (PubChem CID 175349693) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid
PubChem CID175349693
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid
SMILESCc1ccc(-n2nnc(C)c2C(=O)O)cn1
InChIInChI=1S/C10H10N4O2/c1-6-3-4-8(5-11-6)14-9(10(15)16)7(2)12-13-14/h3-5H,1-2H3,(H,15,16)
InChIKeyRORKAZBBDGGHNZ-UHFFFAOYSA-N
XLogP0.98
TPSA80.90 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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid
CID 175349692
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4,5-dimethyl-1-(6-methyl-3-pyridinyl)pyrrole-2-carboxylic acid
CID 156748404
5-(4-methyl-2-pyridinyl)-1-(6-methyl-3-pyridinyl)pyrazole-3-carboxylic acid
CID 59003597
4-hydroxy-1-(6-methyl-3-pyridinyl)-6-oxopyridine-2-carboxylic acid
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1-(6-methyl-3-pyridinyl)-5-oxopyrrolidine-2-carboxylic acid
CID 171100779
1-methyl-3-(6-methyl-3-pyridinyl)imidazolidin-2-one
CID 170445532
1-phenyltriazole-4,5-dicarboxylic acid
CID 555209
ethane;2-methyl-5-(4-methyltriazol-1-yl)pyridine
CID 157044082
tert-butyl 3-(4-bromophenyl)-5-methyltriazole-4-carboxylate
CID 118060458
5-methyl-3-(2-methylpropyl)triazole-4-carboxylic acid
CID 82407288
5-(4-bromo-3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 115491057

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid (CID 175349693) is 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid is Cc1ccc(-n2nnc(C)c2C(=O)O)cn1.
What is the InChIKey of 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid?
The InChIKey is RORKAZBBDGGHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-6-3-4-8(5-11-6)14-9(10(15)16)7(2)12-13-14/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid?
5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid has a molecular weight of 218.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(6-methyl-3-pyridinyl)triazole-4-carboxylic acid is sourced from PubChem (CID 175349693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).