5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine

C14H14N4O3 — CID 157018296

IUPAC5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCOc1cccc(-c2ccc(-c3nc(N)n[nH]3)o2)c1OC
InChIInChI=1S/C14H14N4O3/c1-19-10-5-3-4-8(12(10)20-2)9-6-7-11(21-9)13-16-14(15)18-17-13/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyQFLDDOBCAVRSJL-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.33
Rot. Bonds4

About 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine

5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 157018296) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID157018296
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCOc1cccc(-c2ccc(-c3nc(N)n[nH]3)o2)c1OC
InChIInChI=1S/C14H14N4O3/c1-19-10-5-3-4-8(12(10)20-2)9-6-7-11(21-9)13-16-14(15)18-17-13/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyQFLDDOBCAVRSJL-UHFFFAOYSA-N
XLogP2.33
TPSA99.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine (CID 157018296) is 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine is COc1cccc(-c2ccc(-c3nc(N)n[nH]3)o2)c1OC.
What is the InChIKey of 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is QFLDDOBCAVRSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-19-10-5-3-4-8(12(10)20-2)9-6-7-11(21-9)13-16-14(15)18-17-13/h3-7H,1-2H3,(H3,15,16,17,18).
What are the key properties of 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 286.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,3-dimethoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 157018296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).