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

C11H14N4O — CID 3239895

IUPAC5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCCOc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C11H14N4O/c1-2-7-16-9-5-3-8(4-6-9)10-13-11(12)15-14-10/h3-6H,2,7H2,1H3,(H3,12,13,14,15)
InChIKeyYONXRUXHQVNHHE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.84
Rot. Bonds4

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

5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 3239895) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
PubChem CID3239895
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
SMILESCCCOc1ccc(-c2nc(N)n[nH]2)cc1
InChIInChI=1S/C11H14N4O/c1-2-7-16-9-5-3-8(4-6-9)10-13-11(12)15-14-10/h3-6H,2,7H2,1H3,(H3,12,13,14,15)
InChIKeyYONXRUXHQVNHHE-UHFFFAOYSA-N
XLogP1.84
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine (CID 3239895) is 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine is CCCOc1ccc(-c2nc(N)n[nH]2)cc1.
What is the InChIKey of 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is YONXRUXHQVNHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-7-16-9-5-3-8(4-6-9)10-13-11(12)15-14-10/h3-6H,2,7H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine?
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 218.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 3239895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).