[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine

C10H11FN4 — CID 21069905

IUPAC[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine
SMILESCc1cnnn1-c1cc(F)ccc1CN
InChIInChI=1S/C10H11FN4/c1-7-6-13-14-15(7)10-4-9(11)3-2-8(10)5-12/h2-4,6H,5,12H2,1H3
InChIKeyJCGDFMWLXYIUOV-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.17
Rot. Bonds2

About [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine

[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine (PubChem CID 21069905) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine
PubChem CID21069905
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine
SMILESCc1cnnn1-c1cc(F)ccc1CN
InChIInChI=1S/C10H11FN4/c1-7-6-13-14-15(7)10-4-9(11)3-2-8(10)5-12/h2-4,6H,5,12H2,1H3
InChIKeyJCGDFMWLXYIUOV-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-(5-methyltriazol-1-yl)aniline
CID 20577188
2-[2-(aminomethyl)-5-fluorophenyl]-4,5-dimethyl-1,2,4-triazol-3-one;hydrochloride
CID 67439483
5-(chloromethyl)-1-(5-fluoro-2-methylphenyl)triazole
CID 107450868
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[3-(2-fluoro-4-methylphenyl)triazol-4-yl]methanamine
CID 82507073
[5-fluoro-2-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 82016594
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
[2-[(4-chloro-5-methylpyrazol-1-yl)methyl]-4-fluorophenyl]methanamine
CID 64766128
1-(2-bromo-5-fluorophenyl)-5-methyl-1,2,4-triazole;copper(1+);ethane;4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)benzonitrile;[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methanamine;cyanide
CID 162199394
[4-fluoro-2-(5-methyl-1,2,4-triazol-1-yl)phenyl]methylhydrazine
CID 71069724
[4-fluoro-2-(2-methyltetrazol-5-yl)phenyl]methanamine
CID 21069889
(4-fluoro-2-iodophenyl)methanamine
CID 21069911

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine?
The IUPAC name of [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine (CID 21069905) is [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine is Cc1cnnn1-c1cc(F)ccc1CN.
What is the InChIKey of [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine?
The InChIKey is JCGDFMWLXYIUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-6-13-14-15(7)10-4-9(11)3-2-8(10)5-12/h2-4,6H,5,12H2,1H3.
What are the key properties of [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine?
[4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(5-methyltriazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 21069905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).