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

C16H15ClN5O- — CID 56603968

IUPAC3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride
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/p-1/b4-3+;
InChIKeyLUZCFTLMLBCTTK-BJILWQEISA-M
MW328.78 g/mol
LogP-0.24
Rot. Bonds3

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

3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride (PubChem CID 56603968) has the molecular formula C16H15ClN5O- and a molecular weight of 328.78 g/mol. Its IUPAC name is 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride.

Molecular Properties

Compound Name3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride
PubChem CID56603968
Molecular FormulaC16H15ClN5O-
Molecular Weight328.78 g/mol
Exact Mass328.10
IUPAC Name3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride
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/p-1/b4-3+;
InChIKeyLUZCFTLMLBCTTK-BJILWQEISA-M
XLogP-0.24
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride 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 chloride?
The IUPAC name of 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride (CID 56603968) is 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride.
What is the SMILES notation for 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride?
The canonical SMILES for 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride 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 chloride?
The InChIKey is LUZCFTLMLBCTTK-BJILWQEISA-M. 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/p-1/b4-3+;.
What are the key properties of 3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride?
3,5-dimethyl-4-[(E)-2-[5-(2H-tetrazol-5-yl)-3-pyridinyl]ethenyl]phenol chloride has a molecular weight of 328.78 g/mol, XLogP of -0.24, 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 chloride is sourced from PubChem (CID 56603968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).