3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol

C16H15N5O — CID 53239970

IUPAC3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
SMILESCc1cc(O)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H15N5O/c1-10-5-14(22)6-11(2)15(10)4-3-12-7-13(9-17-8-12)16-18-20-21-19-16/h3-9,22H,1-2H3,(H,18,19,20,21)
InChIKeyILTYMFZEBAKYFU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.75
Rot. Bonds3

About 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol

3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol (PubChem CID 53239970) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
PubChem CID53239970
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol
SMILESCc1cc(O)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H15N5O/c1-10-5-14(22)6-11(2)15(10)4-3-12-7-13(9-17-8-12)16-18-20-21-19-16/h3-9,22H,1-2H3,(H,18,19,20,21)
InChIKeyILTYMFZEBAKYFU-UHFFFAOYSA-N
XLogP2.75
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol?
The IUPAC name of 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol (CID 53239970) is 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol.
What is the SMILES notation for 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol?
The canonical SMILES for 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol is Cc1cc(O)cc(C)c1C=Cc1cncc(-c2nn[nH]n2)c1.
What is the InChIKey of 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol?
The InChIKey is ILTYMFZEBAKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-10-5-14(22)6-11(2)15(10)4-3-12-7-13(9-17-8-12)16-18-20-21-19-16/h3-9,22H,1-2H3,(H,18,19,20,21).
What are the key properties of 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol?
3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol has a molecular weight of 293.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol is sourced from PubChem (CID 53239970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).