5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine

C18H20N4O — CID 71521623

IUPAC5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)Nc1nnc(COc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H20N4O/c1-14(2)19-18-21-20-17(13-23-16-11-7-4-8-12-16)22(18)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,19,21)
InChIKeyOIUDNUPRTLYJTR-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.67
Rot. Bonds6

About 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine

5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 71521623) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID71521623
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine
SMILESCC(C)Nc1nnc(COc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H20N4O/c1-14(2)19-18-21-20-17(13-23-16-11-7-4-8-12-16)22(18)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,19,21)
InChIKeyOIUDNUPRTLYJTR-UHFFFAOYSA-N
XLogP3.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine (CID 71521623) is 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine is CC(C)Nc1nnc(COc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is OIUDNUPRTLYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14(2)19-18-21-20-17(13-23-16-11-7-4-8-12-16)22(18)15-9-5-3-6-10-15/h3-12,14H,13H2,1-2H3,(H,19,21).
What are the key properties of 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine?
5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 308.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 71521623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).