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

C12H12N4 — CID 163719210

IUPAC3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole
SMILESCCC1=c2c(-n3cncn3)cccc2=NC1
InChIInChI=1S/C12H12N4/c1-2-9-6-14-10-4-3-5-11(12(9)10)16-8-13-7-15-16/h3-5,7-8H,2,6H2,1H3
InChIKeyKQAYJLDWPHDCQA-UHFFFAOYSA-N
MW212.26 g/mol
LogP0.46
Rot. Bonds2

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

3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole (PubChem CID 163719210) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole.

Molecular Properties

Compound Name3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole
PubChem CID163719210
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole
SMILESCCC1=c2c(-n3cncn3)cccc2=NC1
InChIInChI=1S/C12H12N4/c1-2-9-6-14-10-4-3-5-11(12(9)10)16-8-13-7-15-16/h3-5,7-8H,2,6H2,1H3
InChIKeyKQAYJLDWPHDCQA-UHFFFAOYSA-N
XLogP0.46
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2H-pyrrol-5-yl)ethyl]-1,2,4-triazole
CID 58270149
N-(cyclohexa-1,3-dien-1-ylmethyl)-N,5-diethyl-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 68030093
(4E,5E)-4,5-bis(prop-2-enylidene)-6-(1,2,4-triazol-1-yl)pyrimidine
CID 132097808
(4E,5E)-5-ethylidene-4-prop-2-enylidene-6-(1,2,4-triazol-1-yl)pyrimidine
CID 134443327
1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-1,2,4-triazole
CID 134553219
5-(1,2,4-Triazol-1-yl)benzimidazol-2-one
CID 141558090
5-(1,2,4-Triazol-1-yl)benzimidazole-2-thione
CID 141558094
N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-3aH-indol-3-yl]ethanamine
CID 152743278
1-[(3E)-6-methyl-5-methylidenehepta-1,3-dien-4-yl]-1,2,4-triazole
CID 153553453
1-[(2E,4Z)-4-ethylhepta-2,4,6-trien-3-yl]-1,2,4-triazole
CID 153554120
1-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-1,2,4-triazole
CID 153554132
N,N-dimethyl-3-(1,2,4-triazol-1-ylmethyl)benzene-2-id-1-amine
CID 101443179

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole?
The IUPAC name of 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole (CID 163719210) is 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole.
What is the SMILES notation for 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole?
The canonical SMILES for 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole is CCC1=c2c(-n3cncn3)cccc2=NC1.
What is the InChIKey of 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole?
The InChIKey is KQAYJLDWPHDCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-9-6-14-10-4-3-5-11(12(9)10)16-8-13-7-15-16/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole?
3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole has a molecular weight of 212.26 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(1,2,4-triazol-1-yl)-2H-indole is sourced from PubChem (CID 163719210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).