1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine

C10H11FN4 — CID 106531142

IUPAC1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-n2cncn2)c1
InChIInChI=1S/C10H11FN4/c1-12-5-8-2-9(11)4-10(3-8)15-7-13-6-14-15/h2-4,6-7,12H,5H2,1H3
InChIKeySFAZWLFSMCAXGK-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.13
Rot. Bonds3

About 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine

1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine (PubChem CID 106531142) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
PubChem CID106531142
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(-n2cncn2)c1
InChIInChI=1S/C10H11FN4/c1-12-5-8-2-9(11)4-10(3-8)15-7-13-6-14-15/h2-4,6-7,12H,5H2,1H3
InChIKeySFAZWLFSMCAXGK-UHFFFAOYSA-N
XLogP1.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[3-fluoro-5-(methylaminomethyl)phenyl]piperazin-1-yl]ethanone
CID 106530754
N-[(3,5-difluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819669
1-[3-fluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 106530804
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106531107
N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63943267
[3-amino-5-(1,2,4-triazol-1-yl)phenyl]methanol
CID 59313807
3,5-dimethyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]aniline
CID 87011517
4-fluoro-N-methyl-2-(1,2,4-triazol-1-yl)aniline;hydrochloride
CID 162335623
2-N,3-N-bis[[3-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazine-2,3-diamine
CID 166216423
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[(3-bromo-4-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 60927797

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine (CID 106531142) is 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine is CNCc1cc(F)cc(-n2cncn2)c1.
What is the InChIKey of 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine?
The InChIKey is SFAZWLFSMCAXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-12-5-8-2-9(11)4-10(3-8)15-7-13-6-14-15/h2-4,6-7,12H,5H2,1H3.
What are the key properties of 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine?
1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine has a molecular weight of 206.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 106531142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).