N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine

C9H9FN4O — CID 91148633

IUPACN-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1cc(F)ccc1Nc1ncn[nH]1
InChIInChI=1S/C9H9FN4O/c1-15-8-4-6(10)2-3-7(8)13-9-11-5-12-14-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyIQNCMGGQCPQVOU-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.70
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine

N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine (PubChem CID 91148633) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine
PubChem CID91148633
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine
SMILESCOc1cc(F)ccc1Nc1ncn[nH]1
InChIInChI=1S/C9H9FN4O/c1-15-8-4-6(10)2-3-7(8)13-9-11-5-12-14-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyIQNCMGGQCPQVOU-UHFFFAOYSA-N
XLogP1.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine (CID 91148633) is N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine is COc1cc(F)ccc1Nc1ncn[nH]1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is IQNCMGGQCPQVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-15-8-4-6(10)2-3-7(8)13-9-11-5-12-14-9/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine?
N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 208.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 91148633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).