4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid

C14H12N4O3 — CID 170504906

IUPAC4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc3c(c2)nnn3C)c(=O)c1C(=O)O
InChIInChI=1S/C14H12N4O3/c1-8-5-6-18(13(19)12(8)14(20)21)9-3-4-11-10(7-9)15-16-17(11)2/h3-7H,1-2H3,(H,20,21)
InChIKeyVNTPZCLCROUMBF-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.13
Rot. Bonds2

About 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid

4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid (PubChem CID 170504906) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid
PubChem CID170504906
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid
SMILESCc1ccn(-c2ccc3c(c2)nnn3C)c(=O)c1C(=O)O
InChIInChI=1S/C14H12N4O3/c1-8-5-6-18(13(19)12(8)14(20)21)9-3-4-11-10(7-9)15-16-17(11)2/h3-7H,1-2H3,(H,20,21)
InChIKeyVNTPZCLCROUMBF-UHFFFAOYSA-N
XLogP1.13
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid (CID 170504906) is 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid is Cc1ccn(-c2ccc3c(c2)nnn3C)c(=O)c1C(=O)O.
What is the InChIKey of 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is VNTPZCLCROUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-8-5-6-18(13(19)12(8)14(20)21)9-3-4-11-10(7-9)15-16-17(11)2/h3-7H,1-2H3,(H,20,21).
What are the key properties of 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid?
4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylbenzotriazol-5-yl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 170504906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).