6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline

C13H12N4 — CID 62875217

IUPAC6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESCCc1nc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C13H12N4/c1-2-12-15-13(17-16-12)10-5-6-11-9(8-10)4-3-7-14-11/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyKUMVWPGTWDMBCZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.58
Rot. Bonds2

About 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline

6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline (PubChem CID 62875217) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
PubChem CID62875217
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
SMILESCCc1nc(-c2ccc3ncccc3c2)n[nH]1
InChIInChI=1S/C13H12N4/c1-2-12-15-13(17-16-12)10-5-6-11-9(8-10)4-3-7-14-11/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyKUMVWPGTWDMBCZ-UHFFFAOYSA-N
XLogP2.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-quinolin-6-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 63097229
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
3-(3-chlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 46398001
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
CID 23228256
6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
CID 63611491
4-(5-ethyl-1H-1,2,4-triazol-3-yl)-2-fluoroaniline
CID 63187974
6-(1H-azirin-2-yl)quinoline
CID 146540612
6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
CID 122510804
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 81221812
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline (CID 62875217) is 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline is CCc1nc(-c2ccc3ncccc3c2)n[nH]1.
What is the InChIKey of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline?
The InChIKey is KUMVWPGTWDMBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-12-15-13(17-16-12)10-5-6-11-9(8-10)4-3-7-14-11/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline?
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline has a molecular weight of 224.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 62875217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).