[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

C14H20N4 — CID 112593050

IUPAC[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCCc1ccc(-c2nnc(CN)n2C(C)C)cc1
InChIInChI=1S/C14H20N4/c1-4-11-5-7-12(8-6-11)14-17-16-13(9-15)18(14)10(2)3/h5-8,10H,4,9,15H2,1-3H3
InChIKeyJBGBHWHZQXOGGD-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.55
Rot. Bonds4

About [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine

[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593050) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593050
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
SMILESCCc1ccc(-c2nnc(CN)n2C(C)C)cc1
InChIInChI=1S/C14H20N4/c1-4-11-5-7-12(8-6-11)14-17-16-13(9-15)18(14)10(2)3/h5-8,10H,4,9,15H2,1-3H3
InChIKeyJBGBHWHZQXOGGD-UHFFFAOYSA-N
XLogP2.55
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanol
CID 115396079
[5-[(4-ethylphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 63313046
[5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 112592986
[5-(3-chloro-5-methylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 112592985
[5-[(4-chlorophenyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 112592957
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanamine
CID 82333500
[5-(4-propan-2-ylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593737
[4-(4-ethylphenyl)phenyl]methanamine;hydrochloride
CID 178203189
3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazole
CID 16577355
3-(bromomethyl)-4-cyclopropyl-5-(4-ethylphenyl)-1,2,4-triazole
CID 113302396
[4-propan-2-yl-5-(thiophen-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 55205627
[4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenyl]methanamine
CID 60785792

Frequently Asked Questions

What is the IUPAC name of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine (CID 112593050) is [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is CCc1ccc(-c2nnc(CN)n2C(C)C)cc1.
What is the InChIKey of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is JBGBHWHZQXOGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-4-11-5-7-12(8-6-11)14-17-16-13(9-15)18(14)10(2)3/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine?
[5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethylphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).