4-(3-propyl-1,2,4-triazol-4-yl)phenol

C11H13N3O — CID 23461023

IUPAC4-(3-propyl-1,2,4-triazol-4-yl)phenol
SMILESCCCc1nncn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c1-2-3-11-13-12-8-14(11)9-4-6-10(15)7-5-9/h4-8,15H,2-3H2,1H3
InChIKeyVKKQVVBVYHYIOK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.93
Rot. Bonds3

About 4-(3-propyl-1,2,4-triazol-4-yl)phenol

4-(3-propyl-1,2,4-triazol-4-yl)phenol (PubChem CID 23461023) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-(3-propyl-1,2,4-triazol-4-yl)phenol.

Molecular Properties

Compound Name4-(3-propyl-1,2,4-triazol-4-yl)phenol
PubChem CID23461023
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-(3-propyl-1,2,4-triazol-4-yl)phenol
SMILESCCCc1nncn1-c1ccc(O)cc1
InChIInChI=1S/C11H13N3O/c1-2-3-11-13-12-8-14(11)9-4-6-10(15)7-5-9/h4-8,15H,2-3H2,1H3
InChIKeyVKKQVVBVYHYIOK-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propyl-1,2,4-triazol-4-yl)phenol?
The IUPAC name of 4-(3-propyl-1,2,4-triazol-4-yl)phenol (CID 23461023) is 4-(3-propyl-1,2,4-triazol-4-yl)phenol.
What is the SMILES notation for 4-(3-propyl-1,2,4-triazol-4-yl)phenol?
The canonical SMILES for 4-(3-propyl-1,2,4-triazol-4-yl)phenol is CCCc1nncn1-c1ccc(O)cc1.
What is the InChIKey of 4-(3-propyl-1,2,4-triazol-4-yl)phenol?
The InChIKey is VKKQVVBVYHYIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-3-11-13-12-8-14(11)9-4-6-10(15)7-5-9/h4-8,15H,2-3H2,1H3.
What are the key properties of 4-(3-propyl-1,2,4-triazol-4-yl)phenol?
4-(3-propyl-1,2,4-triazol-4-yl)phenol has a molecular weight of 203.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-1,2,4-triazol-4-yl)phenol is sourced from PubChem (CID 23461023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).