2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine

C11H13ClN4 — CID 117167260

IUPAC2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
SMILESCNCCc1cnnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN4/c1-13-6-5-11-8-14-15-16(11)10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyZTGDPBGNFXFCGO-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.68
Rot. Bonds4

About 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine

2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine (PubChem CID 117167260) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
PubChem CID117167260
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine
SMILESCNCCc1cnnn1-c1cccc(Cl)c1
InChIInChI=1S/C11H13ClN4/c1-13-6-5-11-8-14-15-16(11)10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyZTGDPBGNFXFCGO-UHFFFAOYSA-N
XLogP1.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-chlorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167278
N-methyl-2-[3-(3-methylphenyl)triazol-4-yl]ethanamine
CID 117167256
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
2-[1-(3-chlorophenyl)pyrazol-3-yl]-N-methylethanamine
CID 116818134
1-[3-(3-chlorophenyl)triazol-4-yl]ethanol
CID 117167214
N-[3-[5-(2-aminoethyl)triazol-1-yl]phenyl]acetamide
CID 82199375
3-[3-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167403
5-(chloromethyl)-1-(3-propan-2-ylphenyl)triazole
CID 56772051
3-[5-[(tert-butylamino)methyl]triazol-1-yl]benzonitrile
CID 107451407
N-[[3-(3-methylphenyl)triazol-4-yl]methyl]ethanamine
CID 107451191
2-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 82291485
3-[3-(2-bromophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167152

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine (CID 117167260) is 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine is CNCCc1cnnn1-c1cccc(Cl)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine?
The InChIKey is ZTGDPBGNFXFCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-13-6-5-11-8-14-15-16(11)10-4-2-3-9(12)7-10/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine?
2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine has a molecular weight of 236.71 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)triazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 117167260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).