6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

C15H20N4 — CID 106780140

IUPAC6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCn1ncnc1Cc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C15H20N4/c1-3-19-15(16-10-17-19)9-12-5-7-14-13(8-12)6-4-11(2)18-14/h5,7-8,10-11,18H,3-4,6,9H2,1-2H3
InChIKeyXYECQXIWJKOTFZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.64
Rot. Bonds3

About 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline

6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 106780140) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID106780140
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCn1ncnc1Cc1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C15H20N4/c1-3-19-15(16-10-17-19)9-12-5-7-14-13(8-12)6-4-11(2)18-14/h5,7-8,10-11,18H,3-4,6,9H2,1-2H3
InChIKeyXYECQXIWJKOTFZ-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379441
2-methyl-6-(pyrimidin-5-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 105379418
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106779904
2-methyl-6-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 105379469
6-[(3,5-dimethylcyclohexyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 105379430
6-[(2-fluoro-4,6-dimethylphenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106882345
2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 13094330
2-methyl-6-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroquinoline
CID 106778090
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
5-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 70571795
4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohex-3-en-1-amine
CID 83262408

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline (CID 106780140) is 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is CCn1ncnc1Cc1ccc2c(c1)CCC(C)N2.
What is the InChIKey of 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is XYECQXIWJKOTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-3-19-15(16-10-17-19)9-12-5-7-14-13(8-12)6-4-11(2)18-14/h5,7-8,10-11,18H,3-4,6,9H2,1-2H3.
What are the key properties of 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline?
6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106780140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).