2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole

C15H14N4O — CID 578681

IUPAC2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole
SMILESCOc1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-20-14-9-7-12(8-10-14)11-19-17-15(16-18-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLTEHIGRGQQGERP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.40
Rot. Bonds4

About 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole

2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole (PubChem CID 578681) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole
PubChem CID578681
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole
SMILESCOc1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H14N4O/c1-20-14-9-7-12(8-10-14)11-19-17-15(16-18-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyLTEHIGRGQQGERP-UHFFFAOYSA-N
XLogP2.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-(4-Methoxyphenyl)-2H-tetrazole
CID 307902
3-(4-Methoxyphenyl)-1,2,4,5-tetrazine
CID 824652
2H-Tetrazole-2-propanenitrile, 5-(4-(phenylmethoxy)phenyl)-
CID 3076090
4-(2-Methyl-2H-tetrazol-5-yl)phenol
CID 135648956
2-[5-(4-Methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
CID 83535370
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-isopropyl-2H-tetrazole
CID 2223801
2-(2-Fluoro-benzyl)-5-(4-methoxy-phenyl)-2H-tetrazole
CID 573142
[5-(3,4-dimethoxyphenyl)-2H-tetrazol-2-yl]acetonitrile
CID 605082
5-{4-[(2-fluorobenzyl)oxy]phenyl}-2-methyl-2H-tetrazole
CID 748005
5-(4-butoxyphenyl)-2H-tetrazole
CID 3718258
3-{5-[4-(3-Chloro-benzyloxy)-phenyl]-tetrazol-2-yl}-propionitrile
CID 10569117
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole (CID 578681) is 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole is COc1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole?
The InChIKey is LTEHIGRGQQGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-20-14-9-7-12(8-10-14)11-19-17-15(16-18-19)13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole?
2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole has a molecular weight of 266.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-5-phenyltetrazole is sourced from PubChem (CID 578681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).