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

C14H16N4 — CID 116546855

IUPAC1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole
SMILESCCn1ncnc1Cn1ccc2ccc(C)cc21
InChIInChI=1S/C14H16N4/c1-3-18-14(15-10-16-18)9-17-7-6-12-5-4-11(2)8-13(12)17/h4-8,10H,3,9H2,1-2H3
InChIKeyJZMUICSTYATLOP-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds3

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

1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole (PubChem CID 116546855) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole.

Molecular Properties

Compound Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole
PubChem CID116546855
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole
SMILESCCn1ncnc1Cn1ccc2ccc(C)cc21
InChIInChI=1S/C14H16N4/c1-3-18-14(15-10-16-18)9-17-7-6-12-5-4-11(2)8-13(12)17/h4-8,10H,3,9H2,1-2H3
InChIKeyJZMUICSTYATLOP-UHFFFAOYSA-N
XLogP2.61
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]indol-5-yl]methanol
CID 102912872
6-fluoro-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]indole
CID 116619780
5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623044
2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116546884
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-propoxyindole
CID 83166124
1-(2-bromoethyl)-6-methylindole
CID 130577129
1-decyl-6-methylindole
CID 116546893
4-[(6-methylindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 63885355
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
3-[(6-methylindol-1-yl)methyl]benzonitrile
CID 116546598
2-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-5-methylaniline
CID 82757811
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole?
The IUPAC name of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole (CID 116546855) is 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole.
What is the SMILES notation for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole?
The canonical SMILES for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole is CCn1ncnc1Cn1ccc2ccc(C)cc21.
What is the InChIKey of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole?
The InChIKey is JZMUICSTYATLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-18-14(15-10-16-18)9-17-7-6-12-5-4-11(2)8-13(12)17/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole?
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole has a molecular weight of 240.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole is sourced from PubChem (CID 116546855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).