N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine

C9H9FN4 — CID 75203053

IUPACN-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine
SMILESCc1cc(F)ccc1Nc1cn[nH]n1
InChIInChI=1S/C9H9FN4/c1-6-4-7(10)2-3-8(6)12-9-5-11-14-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyRKASTXBVZAPNBT-UHFFFAOYSA-N
MW192.20 g/mol
LogP2.00
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine

N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine (PubChem CID 75203053) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine
PubChem CID75203053
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine
SMILESCc1cc(F)ccc1Nc1cn[nH]n1
InChIInChI=1S/C9H9FN4/c1-6-4-7(10)2-3-8(6)12-9-5-11-14-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyRKASTXBVZAPNBT-UHFFFAOYSA-N
XLogP2.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine (CID 75203053) is N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine is Cc1cc(F)ccc1Nc1cn[nH]n1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine?
The InChIKey is RKASTXBVZAPNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c1-6-4-7(10)2-3-8(6)12-9-5-11-14-13-9/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine?
N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine has a molecular weight of 192.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2H-triazol-4-amine is sourced from PubChem (CID 75203053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).