2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine

C15H20N4 — CID 82482696

IUPAC2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(C)cc(-n2nc(C3CC3)nc2CCN)c1
InChIInChI=1S/C15H20N4/c1-10-7-11(2)9-13(8-10)19-14(5-6-16)17-15(18-19)12-3-4-12/h7-9,12H,3-6,16H2,1-2H3
InChIKeyUIHMIYHFBPHGRS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds4

About 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine

2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82482696) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID82482696
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCc1cc(C)cc(-n2nc(C3CC3)nc2CCN)c1
InChIInChI=1S/C15H20N4/c1-10-7-11(2)9-13(8-10)19-14(5-6-16)17-15(18-19)12-3-4-12/h7-9,12H,3-6,16H2,1-2H3
InChIKeyUIHMIYHFBPHGRS-UHFFFAOYSA-N
XLogP2.26
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chloro-2-methylphenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethanamine
CID 98020555
2-[2-(3,5-dimethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethanamine
CID 131922638
3-cyclopropyl-1-(3,4-dimethylphenyl)-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,2,4-triazole
CID 50974074
(2S)-2-amino-4-[2-(3-methylphenyl)-5-(oxan-4-yl)-1,2,4-triazol-3-yl]butanoic acid
CID 74231750
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
6-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)hexan-1-amine
CID 62721244
2-[2-(3-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489374
2-[2-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667858
2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile
CID 82087737
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
2-(2-cyclopropyl-4-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852227
2-[2-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82482089

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine (CID 82482696) is 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine is Cc1cc(C)cc(-n2nc(C3CC3)nc2CCN)c1.
What is the InChIKey of 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is UIHMIYHFBPHGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-7-11(2)9-13(8-10)19-14(5-6-16)17-15(18-19)12-3-4-12/h7-9,12H,3-6,16H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine?
2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-2-(3,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82482696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).