5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine

C9H10N4O — CID 605283

IUPAC5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccccc1-c1nc(N)n[nH]1
InChIInChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyVPYFFIZLDRLOFQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.06
Rot. Bonds2

About 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine

5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 605283) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID605283
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccccc1-c1nc(N)n[nH]1
InChIInChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKeyVPYFFIZLDRLOFQ-UHFFFAOYSA-N
XLogP1.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine (CID 605283) is 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine is COc1ccccc1-c1nc(N)n[nH]1.
What is the InChIKey of 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is VPYFFIZLDRLOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-14-7-5-3-2-4-6(7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13).
What are the key properties of 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine?
5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 190.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 605283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).