N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine

C16H24N4 — CID 79421253

IUPACN-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1ncnc1CC(CNC)c1ccccc1C
InChIInChI=1S/C16H24N4/c1-4-9-20-16(18-12-19-20)10-14(11-17-3)15-8-6-5-7-13(15)2/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyQFSPBTRGSVRYQD-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.54
Rot. Bonds7

About N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine

N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 79421253) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID79421253
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC NameN-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCCCn1ncnc1CC(CNC)c1ccccc1C
InChIInChI=1S/C16H24N4/c1-4-9-20-16(18-12-19-20)10-14(11-17-3)15-8-6-5-7-13(15)2/h5-8,12,14,17H,4,9-11H2,1-3H3
InChIKeyQFSPBTRGSVRYQD-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79434158
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
2-(2-chlorophenyl)-N-methyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79449278
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
1-(2-methyl-3-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109761
1-(2-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003291
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003000
5-[3-bromo-2-(3-methylphenyl)propyl]-1-propyl-1,2,4-triazole
CID 79424338
2-(3-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 79424033
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine (CID 79421253) is N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine is CCCn1ncnc1CC(CNC)c1ccccc1C.
What is the InChIKey of N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is QFSPBTRGSVRYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-9-20-16(18-12-19-20)10-14(11-17-3)15-8-6-5-7-13(15)2/h5-8,12,14,17H,4,9-11H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine?
N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 79421253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).