5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine

C13H11FN4 — CID 114088248

IUPAC5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ccc(F)c3ccccc23)nc1N
InChIInChI=1S/C13H11FN4/c1-18-13(15)16-12(17-18)10-6-7-11(14)9-5-3-2-4-8(9)10/h2-7H,1H3,(H2,15,16,17)
InChIKeyRHHRXFUNNGRHIN-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.36
Rot. Bonds1

About 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine

5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine (PubChem CID 114088248) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
PubChem CID114088248
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine
SMILESCn1nc(-c2ccc(F)c3ccccc23)nc1N
InChIInChI=1S/C13H11FN4/c1-18-13(15)16-12(17-18)10-6-7-11(14)9-5-3-2-4-8(9)10/h2-7H,1H3,(H2,15,16,17)
InChIKeyRHHRXFUNNGRHIN-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 106860891
4,6-dichloro-2-(4-fluoronaphthalen-1-yl)pyrimidine
CID 114088705
5-(4-fluoronaphthalen-1-yl)-3-methylpyridin-2-amine
CID 83170406
4-(4-fluoronaphthalen-1-yl)-6-propylpyrimidin-2-amine
CID 15435579
4-amino-2-(4-fluoronaphthalen-1-yl)-5-methyl-1H-pyrimidin-6-one
CID 136720496
4-amino-3-(4-fluoronaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
CID 114088267
5-[(3,4-difluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-amine
CID 104605112
4-ethyl-3-(4-fluoronaphthalen-1-yl)-1,2,4-triazole
CID 114088311
2-(2-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 83964861
5-(3,5-dibromophenyl)-2-methyl-1,2,4-triazol-3-amine
CID 107971918
4-chloro-2-(4-fluoronaphthalen-1-yl)aniline
CID 81274759
2-methyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117526

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine (CID 114088248) is 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine is Cn1nc(-c2ccc(F)c3ccccc23)nc1N.
What is the InChIKey of 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is RHHRXFUNNGRHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-18-13(15)16-12(17-18)10-6-7-11(14)9-5-3-2-4-8(9)10/h2-7H,1H3,(H2,15,16,17).
What are the key properties of 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine?
5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 242.26 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoronaphthalen-1-yl)-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 114088248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).