2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine

C10H11FN4 — CID 165479941

IUPAC2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
SMILESCc1ccc(F)cc1Cn1ncc(N)n1
InChIInChI=1S/C10H11FN4/c1-7-2-3-9(11)4-8(7)6-15-13-5-10(12)14-15/h2-5H,6H2,1H3,(H2,12,14)
InChIKeyHNFYJTSCRWENIQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.36
Rot. Bonds2

About 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine

2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine (PubChem CID 165479941) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
PubChem CID165479941
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine
SMILESCc1ccc(F)cc1Cn1ncc(N)n1
InChIInChI=1S/C10H11FN4/c1-7-2-3-9(11)4-8(7)6-15-13-5-10(12)14-15/h2-5H,6H2,1H3,(H2,12,14)
InChIKeyHNFYJTSCRWENIQ-UHFFFAOYSA-N
XLogP1.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]aniline
CID 105371546
2-[(2,3-difluorophenyl)methyl]triazol-4-amine
CID 165479947
5-amino-2-[(5-fluoro-2-methylphenyl)methyl]isoindole-1,3-dione
CID 105371505
2-[(2-methyl-4-pyridinyl)methyl]triazol-4-amine
CID 165479881
1-[(2-bromo-5-fluorophenyl)methyl]-5-methylpyrazol-3-amine
CID 51000352
2-[(5-methylthiophen-3-yl)methyl]triazol-4-amine
CID 165481339
2-(2,2-difluoroethyl)triazol-4-amine
CID 146075351
[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
CID 106717550
[3,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 105375116
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
2-[(3-chloro-4-methoxyphenyl)methyl]triazol-4-amine
CID 96592578
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine?
The IUPAC name of 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine (CID 165479941) is 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine.
What is the SMILES notation for 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine?
The canonical SMILES for 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine is Cc1ccc(F)cc1Cn1ncc(N)n1.
What is the InChIKey of 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine?
The InChIKey is HNFYJTSCRWENIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-2-3-9(11)4-8(7)6-15-13-5-10(12)14-15/h2-5H,6H2,1H3,(H2,12,14).
What are the key properties of 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine?
2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine has a molecular weight of 206.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylphenyl)methyl]triazol-4-amine is sourced from PubChem (CID 165479941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).