[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine

C12H16N4 — CID 82207457

IUPAC[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1-c1ccc(C)cc1
InChIInChI=1S/C12H16N4/c1-3-16-12(11(8-13)14-15-16)10-6-4-9(2)5-7-10/h4-7H,3,8,13H2,1-2H3
InChIKeyBURYVAVQACKWQK-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.73
Rot. Bonds3

About [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine

[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine (PubChem CID 82207457) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
PubChem CID82207457
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine
SMILESCCn1nnc(CN)c1-c1ccc(C)cc1
InChIInChI=1S/C12H16N4/c1-3-16-12(11(8-13)14-15-16)10-6-4-9(2)5-7-10/h4-7H,3,8,13H2,1-2H3
InChIKeyBURYVAVQACKWQK-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
[1-ethyl-5-(2,3,4-trifluorophenyl)triazol-4-yl]methanamine
CID 82207516
[1-(3,4-dimethylphenyl)-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82196160
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795
[1-pentyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
CID 94944037
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
[5-(4-methylphenyl)-1-(4-propan-2-ylphenyl)triazol-4-yl]methanamine
CID 94938003

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine?
The IUPAC name of [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine (CID 82207457) is [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine?
The canonical SMILES for [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine is CCn1nnc(CN)c1-c1ccc(C)cc1.
What is the InChIKey of [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine?
The InChIKey is BURYVAVQACKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-16-12(11(8-13)14-15-16)10-6-4-9(2)5-7-10/h4-7H,3,8,13H2,1-2H3.
What are the key properties of [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine?
[1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(4-methylphenyl)triazol-4-yl]methanamine is sourced from PubChem (CID 82207457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).