2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine

C16H24N4 — CID 105348745

IUPAC2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCCc1nc(CC)n(Cc2ccc(CCNC)cc2)n1
InChIInChI=1S/C16H24N4/c1-4-15-18-16(5-2)20(19-15)12-14-8-6-13(7-9-14)10-11-17-3/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyGUCPQGZOQXHVRQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.21
Rot. Bonds7

About 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine

2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine (PubChem CID 105348745) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine
PubChem CID105348745
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine
SMILESCCc1nc(CC)n(Cc2ccc(CCNC)cc2)n1
InChIInChI=1S/C16H24N4/c1-4-15-18-16(5-2)20(19-15)12-14-8-6-13(7-9-14)10-11-17-3/h6-9,17H,4-5,10-12H2,1-3H3
InChIKeyGUCPQGZOQXHVRQ-UHFFFAOYSA-N
XLogP2.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107557879
N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine
CID 105348623
5-ethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 62677338
3-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-5-methoxyaniline
CID 81150679
1-[3-(3,5-diethyl-1,2,4-triazol-1-yl)-4-methylphenyl]-N-methylmethanamine
CID 105406400
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
3-[3-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77099040
2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine
CID 112518555
3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one
CID 131937326
2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine
CID 117344011
3-[4-[2-(methylamino)ethyl]phenyl]propyl thiohypofluorite
CID 138502739
3-[4-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]phenyl]pyridine-4-carboxylic acid
CID 19976836

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine (CID 105348745) is 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine is CCc1nc(CC)n(Cc2ccc(CCNC)cc2)n1.
What is the InChIKey of 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine?
The InChIKey is GUCPQGZOQXHVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-15-18-16(5-2)20(19-15)12-14-8-6-13(7-9-14)10-11-17-3/h6-9,17H,4-5,10-12H2,1-3H3.
What are the key properties of 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine?
2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine has a molecular weight of 272.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 105348745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).