2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine

C12H15N5 — CID 82167476

IUPAC2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine
SMILESCCn1c2ccccc2n2c(CCN)nnc12
InChIInChI=1S/C12H15N5/c1-2-16-9-5-3-4-6-10(9)17-11(7-8-13)14-15-12(16)17/h3-6H,2,7-8,13H2,1H3
InChIKeyHIUVOBRQYMHULG-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.21
Rot. Bonds3

About 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine

2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine (PubChem CID 82167476) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine
PubChem CID82167476
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine
SMILESCCn1c2ccccc2n2c(CCN)nnc12
InChIInChI=1S/C12H15N5/c1-2-16-9-5-3-4-6-10(9)17-11(7-8-13)14-15-12(16)17/h3-6H,2,7-8,13H2,1H3
InChIKeyHIUVOBRQYMHULG-UHFFFAOYSA-N
XLogP1.21
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21478631
2-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanyl]acetamide
CID 2772756
2-([1,2,4]triazolo[4,3-a]quinolin-1-yl)ethanamine
CID 82167050
4-ethyl-1-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21226813
4-ethyl-1-[(2-fluoroanilino)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 51224826
3-(4-chlorophenyl)-5-[(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 2772910
3-(2-aminoethyl)-1-ethylquinolin-2-one
CID 102537317
1-amino-3-ethylbenzimidazole-2-thione
CID 827917
ethyl 2-[10-(2-ethoxy-2-oxoethyl)-2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-3-yl]acetate
CID 4065674
4-ethyl-2-methylimidazo[1,2-a]benzimidazole;hydrochloride
CID 2853813
4-ethyl-1-[(4-phenylmethoxyphenoxy)methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 38773044
1-(aminomethyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 94830242

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine (CID 82167476) is 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine is CCn1c2ccccc2n2c(CCN)nnc12.
What is the InChIKey of 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine?
The InChIKey is HIUVOBRQYMHULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-2-16-9-5-3-4-6-10(9)17-11(7-8-13)14-15-12(16)17/h3-6H,2,7-8,13H2,1H3.
What are the key properties of 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine?
2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine has a molecular weight of 229.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-[1,2,4]triazolo[4,3-a]benzimidazol-1-yl)ethanamine is sourced from PubChem (CID 82167476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).