3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole

C12H12N4 — CID 57263001

IUPAC3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCCc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C12H12N4/c1-2-9-6-13-12-4-3-10(5-11(9)12)16-7-14-15-8-16/h3-8,13H,2H2,1H3
InChIKeyFEWIKIVVAIGDNS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.31
Rot. Bonds2

About 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole

3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole (PubChem CID 57263001) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole.

Molecular Properties

Compound Name3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
PubChem CID57263001
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole
SMILESCCc1c[nH]c2ccc(-n3cnnc3)cc12
InChIInChI=1S/C12H12N4/c1-2-9-6-13-12-4-3-10(5-11(9)12)16-7-14-15-8-16/h3-8,13H,2H2,1H3
InChIKeyFEWIKIVVAIGDNS-UHFFFAOYSA-N
XLogP2.31
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-fluoro-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-1-ol
CID 10611350
4-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]morpholine
CID 19426661
1-piperazin-1-yl-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 18975339
3-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10741528
(2R)-1-phenylmethoxy-3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propan-2-ol
CID 10736491
2-[[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 22125681
N-benzyl-N-methyl-1-[1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]azetidin-3-yl]methanamine
CID 11625498
(3R)-N-benzyl-N-methyl-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 10621020
methyl 1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylate
CID 57301007
1-[(4-fluorophenyl)methyl]-N-methyl-N-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-amine
CID 23283184
3-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]-5-(1,2,4-triazol-4-yl)-1H-indole
CID 10644750
4-[2-[4-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperazin-1-yl]ethyl]benzonitrile
CID 18975330

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole?
The IUPAC name of 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole (CID 57263001) is 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole.
What is the SMILES notation for 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole?
The canonical SMILES for 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole is CCc1c[nH]c2ccc(-n3cnnc3)cc12.
What is the InChIKey of 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole?
The InChIKey is FEWIKIVVAIGDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-9-6-13-12-4-3-10(5-11(9)12)16-7-14-15-8-16/h3-8,13H,2H2,1H3.
What are the key properties of 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole?
3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole has a molecular weight of 212.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(1,2,4-triazol-4-yl)-1H-indole is sourced from PubChem (CID 57263001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).