2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole

C17H18N4O — CID 7630474

IUPAC2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
SMILESCOc1ccc(C)cc1Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H18N4O/c1-12-4-7-14(8-5-12)17-18-20-21(19-17)11-15-10-13(2)6-9-16(15)22-3/h4-10H,11H2,1-3H3
InChIKeyCIOUWAVXWFAVGS-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.01
Rot. Bonds4

About 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole

2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole (PubChem CID 7630474) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
PubChem CID7630474
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole
SMILESCOc1ccc(C)cc1Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H18N4O/c1-12-4-7-14(8-5-12)17-18-20-21(19-17)11-15-10-13(2)6-9-16(15)22-3/h4-10H,11H2,1-3H3
InChIKeyCIOUWAVXWFAVGS-UHFFFAOYSA-N
XLogP3.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-phenyltetrazole
CID 7278075
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18776288
2-[(2-bromo-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)tetrazole
CID 55499439
5-(3,4-dimethoxyphenyl)-2-[(2-methylpyrazol-3-yl)methyl]tetrazole
CID 84595829
2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 1164686
2-[(3,4-dichlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465665
5-(4-methylphenyl)-2-[[2-(trifluoromethyl)phenyl]methyl]tetrazole
CID 7465761
2-(3-methoxyphenyl)-4-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 46582916
N-(2,5-dimethoxyphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1169429
3-methyl-5-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
CID 18099850
1-[(2-methoxy-5-methylphenyl)methyl]pyrazol-3-amine
CID 62159764
N-(2-methoxy-5-methylphenyl)-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 846173

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole (CID 7630474) is 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole is COc1ccc(C)cc1Cn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole?
The InChIKey is CIOUWAVXWFAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-4-7-14(8-5-12)17-18-20-21(19-17)11-15-10-13(2)6-9-16(15)22-3/h4-10H,11H2,1-3H3.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole?
2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole has a molecular weight of 294.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methyl]-5-(4-methylphenyl)tetrazole is sourced from PubChem (CID 7630474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).