N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine

C15H20N4 — CID 107447601

IUPACN-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESCc1cc(C)c(-n2ncnc2CNC2CC2)c(C)c1
InChIInChI=1S/C15H20N4/c1-10-6-11(2)15(12(3)7-10)19-14(17-9-18-19)8-16-13-4-5-13/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyJHEJXBADDIDQKW-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.44
Rot. Bonds4

About N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine

N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (PubChem CID 107447601) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
PubChem CID107447601
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
SMILESCc1cc(C)c(-n2ncnc2CNC2CC2)c(C)c1
InChIInChI=1S/C15H20N4/c1-10-6-11(2)15(12(3)7-10)19-14(17-9-18-19)8-16-13-4-5-13/h6-7,9,13,16H,4-5,8H2,1-3H3
InChIKeyJHEJXBADDIDQKW-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447494
N-[(2-tert-butyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
CID 107447429
6-[(cyclopropylamino)methyl]-5-hydroxy-2-(2,4,6-trimethylphenyl)pyridazin-3-one
CID 82420089
N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447528
N-[(2,4,6-trimethylphenyl)methyl]cyclohexanamine
CID 43082188
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123294
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
4-ethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 63453897
N-[[2-(2-propan-2-ylsulfonylethyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 106730595
4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid
CID 20891710
N-[[2-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 107447493
N-[(3,5-dimethylphenyl)methyl]cyclobutanamine
CID 62414754

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine (CID 107447601) is N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is Cc1cc(C)c(-n2ncnc2CNC2CC2)c(C)c1.
What is the InChIKey of N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
The InChIKey is JHEJXBADDIDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-6-11(2)15(12(3)7-10)19-14(17-9-18-19)8-16-13-4-5-13/h6-7,9,13,16H,4-5,8H2,1-3H3.
What are the key properties of N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine?
N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107447601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).