[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine

C11H14N4 — CID 83819506

IUPAC[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCc1ccc(-n2cnc(CN)n2)cc1
InChIInChI=1S/C11H14N4/c1-2-9-3-5-10(6-4-9)15-8-13-11(7-12)14-15/h3-6,8H,2,7,12H2,1H3
InChIKeyWNFHYLGNZDWBSP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.29
Rot. Bonds3

About [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine

[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 83819506) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID83819506
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCCc1ccc(-n2cnc(CN)n2)cc1
InChIInChI=1S/C11H14N4/c1-2-9-3-5-10(6-4-9)15-8-13-11(7-12)14-15/h3-6,8H,2,7,12H2,1H3
InChIKeyWNFHYLGNZDWBSP-UHFFFAOYSA-N
XLogP1.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Aminobenzyl)-1,2,4-triazole
CID 821219
4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
CID 2794785
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]aniline
CID 9840212
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 9903932
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)aniline
CID 22493225
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
2-(2-butyl-1,2,4-triazol-3-yl)-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493367
(1-((1-Phenyl-1H-1,2,4-triazol-5-yl)methyl)-2-pyrrolidinylidene)cyanamide
CID 3074553
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
4-methyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 2310793

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 83819506) is [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine is CCc1ccc(-n2cnc(CN)n2)cc1.
What is the InChIKey of [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is WNFHYLGNZDWBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-9-3-5-10(6-4-9)15-8-13-11(7-12)14-15/h3-6,8H,2,7,12H2,1H3.
What are the key properties of [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine?
[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 83819506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).