N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

C13H16F2N4 — CID 107451253

IUPACN-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnnn1-c1c(F)cccc1F
InChIInChI=1S/C13H16F2N4/c1-13(2,3)16-7-9-8-17-18-19(9)12-10(14)5-4-6-11(12)15/h4-6,8,16H,7H2,1-3H3
InChIKeyHDWVWGWLJGZRDJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.43
Rot. Bonds3

About N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107451253) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107451253
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnnn1-c1c(F)cccc1F
InChIInChI=1S/C13H16F2N4/c1-13(2,3)16-7-9-8-17-18-19(9)12-10(14)5-4-6-11(12)15/h4-6,8,16H,7H2,1-3H3
InChIKeyHDWVWGWLJGZRDJ-UHFFFAOYSA-N
XLogP2.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2,6-difluoro-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451818
1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
CID 107451888
N-[[3-(2,3-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451264
3-[5-[(tert-butylamino)methyl]triazol-1-yl]benzonitrile
CID 107451407
N-[[3-(4-bromo-5-fluoro-2-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451904
N-[[3-(2-bromo-5-fluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107628574
N-[[3-(4-ethylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451133
N-[[3-(2-bromo-5-chlorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451783
N-[[1-(2-bromo-6-fluorophenyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 107603622
N-[[3-(4-bromo-3-methoxyphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107623895
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
N-[[3-(2,3,4,5,6-pentafluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451826

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107451253) is N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnnn1-c1c(F)cccc1F.
What is the InChIKey of N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HDWVWGWLJGZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-13(2,3)16-7-9-8-17-18-19(9)12-10(14)5-4-6-11(12)15/h4-6,8,16H,7H2,1-3H3.
What are the key properties of N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 266.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107451253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).