5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid

C14H11N3O2 — CID 22268030

IUPAC5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid
SMILESCc1nn(-c2ccc3ccccc3c2)nc1C(=O)O
InChIInChI=1S/C14H11N3O2/c1-9-13(14(18)19)16-17(15-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)
InChIKeyTWNFACLGQUUPAU-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid

5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid (PubChem CID 22268030) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid
PubChem CID22268030
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid
SMILESCc1nn(-c2ccc3ccccc3c2)nc1C(=O)O
InChIInChI=1S/C14H11N3O2/c1-9-13(14(18)19)16-17(15-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19)
InChIKeyTWNFACLGQUUPAU-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid (CID 22268030) is 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid is Cc1nn(-c2ccc3ccccc3c2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid?
The InChIKey is TWNFACLGQUUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-13(14(18)19)16-17(15-9)12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19).
What are the key properties of 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid?
5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-naphthalen-2-yltriazole-4-carboxylic acid is sourced from PubChem (CID 22268030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).