3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole

C19H18N4 — CID 141167256

IUPAC3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESc1ccc(CCn2cnnc2Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4/c1-2-6-15(7-3-1)10-11-23-14-21-22-19(23)12-16-13-20-18-9-5-4-8-17(16)18/h1-9,13-14,20H,10-12H2
InChIKeyMWGPGYFRGCJFBT-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.59
Rot. Bonds5

About 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole

3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole (PubChem CID 141167256) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
PubChem CID141167256
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole
SMILESc1ccc(CCn2cnnc2Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H18N4/c1-2-6-15(7-3-1)10-11-23-14-21-22-19(23)12-16-13-20-18-9-5-4-8-17(16)18/h1-9,13-14,20H,10-12H2
InChIKeyMWGPGYFRGCJFBT-UHFFFAOYSA-N
XLogP3.59
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 141222619
3-[[4-(2,5-dimethylpyrazol-3-yl)-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 56712137
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-(1H-indol-3-ylmethyl)-4-methyl-1H-1,2,4-triazol-5-one
CID 86272985
4-(2-phenylethyl)-3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]disulfanyl]-1,2,4-triazole
CID 20726524
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916068
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 1303674
5-(1H-indol-3-ylmethyl)-1-propyltriazole-4-carboxylic acid
CID 82204836
(1R)-1-(4-ethyl-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethanamine
CID 104911671
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
N-(1H-indol-3-ylmethyl)-2-phenylethanamine;hydrochloride
CID 46736403
bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
CID 91093763

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
The IUPAC name of 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole (CID 141167256) is 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole is c1ccc(CCn2cnnc2Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
The InChIKey is MWGPGYFRGCJFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-6-15(7-3-1)10-11-23-14-21-22-19(23)12-16-13-20-18-9-5-4-8-17(16)18/h1-9,13-14,20H,10-12H2.
What are the key properties of 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole?
3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole has a molecular weight of 302.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-1H-indole is sourced from PubChem (CID 141167256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).