1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine

C11H13FN4 — CID 107451888

IUPAC1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnnn1-c1c(C)cccc1F
InChIInChI=1S/C11H13FN4/c1-8-4-3-5-10(12)11(8)16-9(6-13-2)7-14-15-16/h3-5,7,13H,6H2,1-2H3
InChIKeyCKBJZPARSZURFK-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.43
Rot. Bonds3

About 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine

1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine (PubChem CID 107451888) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
PubChem CID107451888
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnnn1-c1c(C)cccc1F
InChIInChI=1S/C11H13FN4/c1-8-4-3-5-10(12)11(8)16-9(6-13-2)7-14-15-16/h3-5,7,13H,6H2,1-2H3
InChIKeyCKBJZPARSZURFK-UHFFFAOYSA-N
XLogP1.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2,6-difluorophenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451253
N-[[3-(2,6-difluoro-3-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107451818
1-[3-(4-bromo-2-fluorophenyl)triazol-4-yl]-N-methylmethanamine
CID 107451386
4-[5-(methylaminomethyl)triazol-1-yl]phenol
CID 117167374
2-[3-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167132
1-[1-(2,6-difluoro-3-methylphenyl)tetrazol-5-yl]-N-methylmethanamine
CID 82819907
N-[[3-(2,3,4,5,6-pentafluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451826
N-[[3-(2-bromo-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451806
N-[[3-(4-fluoro-3-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 107451588
N-methyl-1-(3-quinolin-6-yltriazol-4-yl)methanamine
CID 107451575
N-[[3-(2,6-dichlorophenyl)triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107451689
N-[[3-(3,4,5-trifluorophenyl)triazol-4-yl]methyl]ethanamine
CID 107451598

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine (CID 107451888) is 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine is CNCc1cnnn1-c1c(C)cccc1F.
What is the InChIKey of 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine?
The InChIKey is CKBJZPARSZURFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8-4-3-5-10(12)11(8)16-9(6-13-2)7-14-15-16/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine?
1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine has a molecular weight of 220.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-6-methylphenyl)triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 107451888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).