1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

C17H19N5O2 — CID 60609546

IUPAC1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2nnc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H19N5O2/c1-12-6-13(2)8-16(7-12)24-11-15(23)10-22-20-17(19-21-22)14-4-3-5-18-9-14/h3-9,15,23H,10-11H2,1-2H3
InChIKeyRGRAONCFKBFHKK-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.79
Rot. Bonds6

About 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol

1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (PubChem CID 60609546) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
PubChem CID60609546
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol
SMILESCc1cc(C)cc(OCC(O)Cn2nnc(-c3cccnc3)n2)c1
InChIInChI=1S/C17H19N5O2/c1-12-6-13(2)8-16(7-12)24-11-15(23)10-22-20-17(19-21-22)14-4-3-5-18-9-14/h3-9,15,23H,10-11H2,1-2H3
InChIKeyRGRAONCFKBFHKK-UHFFFAOYSA-N
XLogP1.79
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol (CID 60609546) is 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is Cc1cc(C)cc(OCC(O)Cn2nnc(-c3cccnc3)n2)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
The InChIKey is RGRAONCFKBFHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-6-13(2)8-16(7-12)24-11-15(23)10-22-20-17(19-21-22)14-4-3-5-18-9-14/h3-9,15,23H,10-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol?
1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol has a molecular weight of 325.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-(5-pyridin-3-yltetrazol-2-yl)propan-2-ol is sourced from PubChem (CID 60609546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).