N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine

C14H20N4 — CID 62128464

IUPACN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-n2nc(C)nc2C)cc1C
InChIInChI=1S/C14H20N4/c1-5-15-9-13-6-7-14(8-10(13)2)18-12(4)16-11(3)17-18/h6-8,15H,5,9H2,1-4H3
InChIKeyBJFACPZMCHTPEQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.30
Rot. Bonds4

About N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine

N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine (PubChem CID 62128464) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine
PubChem CID62128464
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(-n2nc(C)nc2C)cc1C
InChIInChI=1S/C14H20N4/c1-5-15-9-13-6-7-14(8-10(13)2)18-12(4)16-11(3)17-18/h6-8,15H,5,9H2,1-4H3
InChIKeyBJFACPZMCHTPEQ-UHFFFAOYSA-N
XLogP2.30
TPSA42.74 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine (CID 62128464) is N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine is CCNCc1ccc(-n2nc(C)nc2C)cc1C.
What is the InChIKey of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine?
The InChIKey is BJFACPZMCHTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-15-9-13-6-7-14(8-10(13)2)18-12(4)16-11(3)17-18/h6-8,15H,5,9H2,1-4H3.
What are the key properties of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine?
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 62128464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).