2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol

C19H15N5O — CID 3068024

IUPAC2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1nnc(Nc2ccccn2)n1-c1ccccc1
InChIInChI=1S/C19H15N5O/c25-16-11-5-4-10-15(16)18-22-23-19(21-17-12-6-7-13-20-17)24(18)14-8-2-1-3-9-14/h1-13,25H,(H,20,21,23)
InChIKeyZFTLUWRCLIXMSI-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.78
Rot. Bonds4

About 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol

2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol (PubChem CID 3068024) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol
PubChem CID3068024
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1nnc(Nc2ccccn2)n1-c1ccccc1
InChIInChI=1S/C19H15N5O/c25-16-11-5-4-10-15(16)18-22-23-19(21-17-12-6-7-13-20-17)24(18)14-8-2-1-3-9-14/h1-13,25H,(H,20,21,23)
InChIKeyZFTLUWRCLIXMSI-UHFFFAOYSA-N
XLogP3.78
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol (CID 3068024) is 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1nnc(Nc2ccccn2)n1-c1ccccc1.
What is the InChIKey of 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol?
The InChIKey is ZFTLUWRCLIXMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-16-11-5-4-10-15(16)18-22-23-19(21-17-12-6-7-13-20-17)24(18)14-8-2-1-3-9-14/h1-13,25H,(H,20,21,23).
What are the key properties of 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol?
2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol has a molecular weight of 329.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-5-(pyridin-2-ylamino)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 3068024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).