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

C10H12N4O2 — CID 652386

IUPAC5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nc(N)n[nH]2)cc1OC
InChIInChI=1S/C10H12N4O2/c1-15-7-4-3-6(5-8(7)16-2)9-12-10(11)14-13-9/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKeyAHCGZNXGBCOYSI-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.07
Rot. Bonds3

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

5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 652386) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID652386
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCOc1ccc(-c2nc(N)n[nH]2)cc1OC
InChIInChI=1S/C10H12N4O2/c1-15-7-4-3-6(5-8(7)16-2)9-12-10(11)14-13-9/h3-5H,1-2H3,(H3,11,12,13,14)
InChIKeyAHCGZNXGBCOYSI-UHFFFAOYSA-N
XLogP1.07
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine (CID 652386) is 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine is COc1ccc(-c2nc(N)n[nH]2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is AHCGZNXGBCOYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-15-7-4-3-6(5-8(7)16-2)9-12-10(11)14-13-9/h3-5H,1-2H3,(H3,11,12,13,14).
What are the key properties of 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine?
5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 220.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 652386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).