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

C16H16ClN5O — CID 57400542

IUPAC3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride
SMILESCc1cc(O)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C16H15N5O.ClH/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);1H/b4-3+;
InChIKeyLUZCFTLMLBCTTK-BJILWQEISA-N
MW329.79 g/mol
LogP3.18
Rot. Bonds3

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

3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride (PubChem CID 57400542) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride
PubChem CID57400542
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride
SMILESCc1cc(O)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1.Cl
InChIInChI=1S/C16H15N5O.ClH/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);1H/b4-3+;
InChIKeyLUZCFTLMLBCTTK-BJILWQEISA-N
XLogP3.18
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride?
The IUPAC name of 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride (CID 57400542) is 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride?
The canonical SMILES for 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride is Cc1cc(O)cc(C)c1/C=C/c1cncc(-c2nn[nH]n2)c1.Cl.
What is the InChIKey of 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride?
The InChIKey is LUZCFTLMLBCTTK-BJILWQEISA-N. The full InChI is InChI=1S/C16H15N5O.ClH/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);1H/b4-3+;.
What are the key properties of 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride?
3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride has a molecular weight of 329.79 g/mol, XLogP of 3.18, 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-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol;hydrochloride is sourced from PubChem (CID 57400542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).