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

C15H16N4O2 — CID 163309615

IUPAC5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCCCOc1cccc(-c2ccc(-c3nc(N)n[nH]3)o2)c1
InChIInChI=1S/C15H16N4O2/c1-2-8-20-11-5-3-4-10(9-11)12-6-7-13(21-12)14-17-15(16)19-18-14/h3-7,9H,2,8H2,1H3,(H3,16,17,18,19)
InChIKeyTUGKKWZTNQRRHF-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.10
Rot. Bonds5

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

5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine (PubChem CID 163309615) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
PubChem CID163309615
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine
SMILESCCCOc1cccc(-c2ccc(-c3nc(N)n[nH]3)o2)c1
InChIInChI=1S/C15H16N4O2/c1-2-8-20-11-5-3-4-10(9-11)12-6-7-13(21-12)14-17-15(16)19-18-14/h3-7,9H,2,8H2,1H3,(H3,16,17,18,19)
InChIKeyTUGKKWZTNQRRHF-UHFFFAOYSA-N
XLogP3.10
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine (CID 163309615) is 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine is CCCOc1cccc(-c2ccc(-c3nc(N)n[nH]3)o2)c1.
What is the InChIKey of 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
The InChIKey is TUGKKWZTNQRRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-8-20-11-5-3-4-10(9-11)12-6-7-13(21-12)14-17-15(16)19-18-14/h3-7,9H,2,8H2,1H3,(H3,16,17,18,19).
What are the key properties of 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine?
5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine has a molecular weight of 284.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3-propoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 163309615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).