N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine

C13H18N4 — CID 102411770

IUPACN,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine
SMILESCN(C)Cc1cn(CCc2ccccc2)nn1
InChIInChI=1S/C13H18N4/c1-16(2)10-13-11-17(15-14-13)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyIBUUQGOKAZTJIL-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.58
Rot. Bonds5

About N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine

N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine (PubChem CID 102411770) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine
PubChem CID102411770
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine
SMILESCN(C)Cc1cn(CCc2ccccc2)nn1
InChIInChI=1S/C13H18N4/c1-16(2)10-13-11-17(15-14-13)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKeyIBUUQGOKAZTJIL-UHFFFAOYSA-N
XLogP1.58
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine (CID 102411770) is N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine is CN(C)Cc1cn(CCc2ccccc2)nn1.
What is the InChIKey of N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine?
The InChIKey is IBUUQGOKAZTJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16(2)10-13-11-17(15-14-13)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine?
N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine has a molecular weight of 230.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(2-phenylethyl)triazol-4-yl]methanamine is sourced from PubChem (CID 102411770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).