N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline

C21H23N5 — CID 67699734

IUPACN,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline
SMILESCC(c1ccccc1N(C)C)c1c[nH]c2ccc(Cn3cncn3)cc12
InChIInChI=1S/C21H23N5/c1-15(17-6-4-5-7-21(17)25(2)3)19-11-23-20-9-8-16(10-18(19)20)12-26-14-22-13-24-26/h4-11,13-15,23H,12H2,1-3H3
InChIKeyKSWIEVFEXBMZHI-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.03
Rot. Bonds5

About N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline

N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline (PubChem CID 67699734) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline
PubChem CID67699734
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline
SMILESCC(c1ccccc1N(C)C)c1c[nH]c2ccc(Cn3cncn3)cc12
InChIInChI=1S/C21H23N5/c1-15(17-6-4-5-7-21(17)25(2)3)19-11-23-20-9-8-16(10-18(19)20)12-26-14-22-13-24-26/h4-11,13-15,23H,12H2,1-3H3
InChIKeyKSWIEVFEXBMZHI-UHFFFAOYSA-N
XLogP4.03
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1-benzylpiperazin-2-yl)propyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 67655176
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine benzoate
CID 53403364
bis(N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine);oxalic acid;hydrate
CID 67698373
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;oxalic acid;hydrate
CID 67698369
N-methyl-N-[2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 23283185
2-[2-[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 131667422
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67085783
2-(1,2,4-triazol-1-ylmethyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole
CID 10825662
N,N-dimethyl-2-[2-methyl-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 58978477
2,6-diaminohexanoic acid;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67365365
3-[3-[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indole
CID 19610460
4,4-bis[3-[2-(dimethylamino)ethyl]-5-(1,2,4-triazol-1-ylmethyl)-1H-indol-2-yl]-N,N-dimethylbutan-1-amine
CID 71752093

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline (CID 67699734) is N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline is CC(c1ccccc1N(C)C)c1c[nH]c2ccc(Cn3cncn3)cc12.
What is the InChIKey of N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline?
The InChIKey is KSWIEVFEXBMZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-15(17-6-4-5-7-21(17)25(2)3)19-11-23-20-9-8-16(10-18(19)20)12-26-14-22-13-24-26/h4-11,13-15,23H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline?
N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline has a molecular weight of 345.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethyl]aniline is sourced from PubChem (CID 67699734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).