7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole

C14H16N4 — CID 107054395

IUPAC7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
SMILESCCc1cccc2ccn(Cc3cn(C)nn3)c12
InChIInChI=1S/C14H16N4/c1-3-11-5-4-6-12-7-8-18(14(11)12)10-13-9-17(2)16-15-13/h4-9H,3,10H2,1-2H3
InChIKeyYZDYXVVHWPLVOL-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.38
Rot. Bonds3

About 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole

7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole (PubChem CID 107054395) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole.

Molecular Properties

Compound Name7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
PubChem CID107054395
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
SMILESCCc1cccc2ccn(Cc3cn(C)nn3)c12
InChIInChI=1S/C14H16N4/c1-3-11-5-4-6-12-7-8-18(14(11)12)10-13-9-17(2)16-15-13/h4-9H,3,10H2,1-2H3
InChIKeyYZDYXVVHWPLVOL-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
4-[(7-ethylindol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664492
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
7-ethyl-1-(2-propoxyethyl)indole
CID 106458036
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
CID 116618712
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630203
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole?
The IUPAC name of 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole (CID 107054395) is 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole.
What is the SMILES notation for 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole?
The canonical SMILES for 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole is CCc1cccc2ccn(Cc3cn(C)nn3)c12.
What is the InChIKey of 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole?
The InChIKey is YZDYXVVHWPLVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-3-11-5-4-6-12-7-8-18(14(11)12)10-13-9-17(2)16-15-13/h4-9H,3,10H2,1-2H3.
What are the key properties of 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole?
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole has a molecular weight of 240.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole is sourced from PubChem (CID 107054395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).