ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline

C15H20N4 — CID 142265870

IUPACethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
SMILESCC.CC1=CC=C2C(c3n[nH]c(C)n3)=CC=CC2N1
InChIInChI=1S/C13H14N4.C2H6/c1-8-6-7-10-11(4-3-5-12(10)14-8)13-15-9(2)16-17-13;1-2/h3-7,12,14H,1-2H3,(H,15,16,17);1-2H3
InChIKeyQPJQSLZJARRRNY-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.89
Rot. Bonds1

About ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline

ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline (PubChem CID 142265870) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline.

Molecular Properties

Compound Nameethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
PubChem CID142265870
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Nameethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
SMILESCC.CC1=CC=C2C(c3n[nH]c(C)n3)=CC=CC2N1
InChIInChI=1S/C13H14N4.C2H6/c1-8-6-7-10-11(4-3-5-12(10)14-8)13-15-9(2)16-17-13;1-2/h3-7,12,14H,1-2H3,(H,15,16,17);1-2H3
InChIKeyQPJQSLZJARRRNY-UHFFFAOYSA-N
XLogP2.89
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(4-fluorocyclohexa-1,3-dien-1-yl)-1H-1,2,4-triazol-5-yl]piperidine
CID 123796357
5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 59252448
N-(3,4-dihydropyridin-6-ylmethyl)-2-(5-methyl-1H-1,2,4-triazol-3-yl)cyclohexa-1,3-dien-1-amine
CID 68029945
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine;molecular hydrogen
CID 142136444
4-(5-heptyl-1H-1,2,4-triazol-3-yl)-1-methyl-2H-pyridine
CID 143200385
lawrencium;2-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-azepine
CID 145598548
5-[5-methyl-4-(propylamino)cyclohexa-1,3-dien-1-yl]-1H-1,2,4-triazol-3-amine
CID 154972606
3-(3,3-dimethylbutan-2-yl)-5-methyl-1H-1,2,4-triazole;5-(2,2-dimethylpropyl)-2-methylidene-1H-pyridine;methane
CID 157798237
3-(3,3-dimethylbutan-2-yl)-5-methyl-1H-1,2,4-triazole;5-(2,2-dimethylpropyl)-2-methylidene-1H-pyridine
CID 161405044
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-1,2-dihydropyridine
CID 5247902
2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
CID 142265871
(Z)-3-(3-cyclopenta-1,3-dien-1-yl-1H-1,2,4-triazol-5-yl)pent-2-en-2-amine
CID 143046635

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
The IUPAC name of ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline (CID 142265870) is ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline.
What is the SMILES notation for ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
The canonical SMILES for ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline is CC.CC1=CC=C2C(c3n[nH]c(C)n3)=CC=CC2N1.
What is the InChIKey of ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
The InChIKey is QPJQSLZJARRRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4.C2H6/c1-8-6-7-10-11(4-3-5-12(10)14-8)13-15-9(2)16-17-13;1-2/h3-7,12,14H,1-2H3,(H,15,16,17);1-2H3.
What are the key properties of ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline?
ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline has a molecular weight of 256.35 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline is sourced from PubChem (CID 142265870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).