2-(3-quinolin-5-yltriazol-4-yl)acetic acid

C13H10N4O2 — CID 43671489

IUPAC2-(3-quinolin-5-yltriazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnnn1-c1cccc2ncccc12
InChIInChI=1S/C13H10N4O2/c18-13(19)7-9-8-15-16-17(9)12-5-1-4-11-10(12)3-2-6-14-11/h1-6,8H,7H2,(H,18,19)
InChIKeyLFNDHAOAMYNGLZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-quinolin-5-yltriazol-4-yl)acetic acid

2-(3-quinolin-5-yltriazol-4-yl)acetic acid (PubChem CID 43671489) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-quinolin-5-yltriazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-quinolin-5-yltriazol-4-yl)acetic acid
PubChem CID43671489
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-(3-quinolin-5-yltriazol-4-yl)acetic acid
SMILESO=C(O)Cc1cnnn1-c1cccc2ncccc12
InChIInChI=1S/C13H10N4O2/c18-13(19)7-9-8-15-16-17(9)12-5-1-4-11-10(12)3-2-6-14-11/h1-6,8H,7H2,(H,18,19)
InChIKeyLFNDHAOAMYNGLZ-UHFFFAOYSA-N
XLogP1.44
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methylphenyl)triazol-4-yl]acetic acid
CID 43671526
2-[3-[2-(methoxymethyl)phenyl]triazol-4-yl]acetic acid
CID 54965389
3-quinolin-5-ylpropanoic acid
CID 81224223
5-ethyl-1-quinolin-5-ylpyrazole-4-carboxylate
CID 22267781
2-(1-quinolin-5-ylimidazol-2-yl)sulfanylacetic acid
CID 29063446
5-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazole-4-carboxylic acid
CID 135132296
ethyl 5-cyano-1-quinolin-5-ylpyrazole-4-carboxylate
CID 134610341
1-quinolin-5-yltetrazol-5-amine
CID 79506210
5-(5-propylpyrazol-1-yl)quinoline
CID 139907305
2-[(5-methyl-4-quinolin-5-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 29074546
2-[3-[2-chloro-5-(trifluoromethyl)phenyl]triazol-4-yl]acetic acid
CID 43671539
N-(diaminomethylidene)-5-ethyl-1-quinolin-5-ylpyrazole-4-carboxamide
CID 22267831

Frequently Asked Questions

What is the IUPAC name of 2-(3-quinolin-5-yltriazol-4-yl)acetic acid?
The IUPAC name of 2-(3-quinolin-5-yltriazol-4-yl)acetic acid (CID 43671489) is 2-(3-quinolin-5-yltriazol-4-yl)acetic acid.
What is the SMILES notation for 2-(3-quinolin-5-yltriazol-4-yl)acetic acid?
The canonical SMILES for 2-(3-quinolin-5-yltriazol-4-yl)acetic acid is O=C(O)Cc1cnnn1-c1cccc2ncccc12.
What is the InChIKey of 2-(3-quinolin-5-yltriazol-4-yl)acetic acid?
The InChIKey is LFNDHAOAMYNGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c18-13(19)7-9-8-15-16-17(9)12-5-1-4-11-10(12)3-2-6-14-11/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-(3-quinolin-5-yltriazol-4-yl)acetic acid?
2-(3-quinolin-5-yltriazol-4-yl)acetic acid has a molecular weight of 254.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-quinolin-5-yltriazol-4-yl)acetic acid is sourced from PubChem (CID 43671489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).