5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole

C19H22N4 — CID 141138744

IUPAC5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole
SMILESCn1nnc(-c2ccc(C(c3ccccc3)C(C)(C)C)cc2)n1
InChIInChI=1S/C19H22N4/c1-19(2,3)17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)18-20-22-23(4)21-18/h5-13,17H,1-4H3
InChIKeyGTPDTNIJRRHDRK-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.06
Rot. Bonds3

About 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole

5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole (PubChem CID 141138744) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole
PubChem CID141138744
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole
SMILESCn1nnc(-c2ccc(C(c3ccccc3)C(C)(C)C)cc2)n1
InChIInChI=1S/C19H22N4/c1-19(2,3)17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)18-20-22-23(4)21-18/h5-13,17H,1-4H3
InChIKeyGTPDTNIJRRHDRK-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(2-methyltetrazol-5-yl)benzenesulfonyl chloride
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5-(4-isocyanatophenyl)-2-methyltetrazole
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CID 126669266
2-[4-(2-methyltetrazol-5-yl)phenoxy]acetic acid
CID 28643089
2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
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1-[4-(2-methyltetrazol-5-yl)phenyl]propan-2-one
CID 84784697
3-(2-methyltetrazol-5-yl)benzenethiol
CID 142338524
N-(3-anilinopropyl)-N'-[4-(2-methyltetrazol-5-yl)phenyl]oxamide
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CID 67698857

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole?
The IUPAC name of 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole (CID 141138744) is 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole.
What is the SMILES notation for 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole?
The canonical SMILES for 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole is Cn1nnc(-c2ccc(C(c3ccccc3)C(C)(C)C)cc2)n1.
What is the InChIKey of 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole?
The InChIKey is GTPDTNIJRRHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-19(2,3)17(14-8-6-5-7-9-14)15-10-12-16(13-11-15)18-20-22-23(4)21-18/h5-13,17H,1-4H3.
What are the key properties of 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole?
5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole has a molecular weight of 306.41 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethyl-1-phenylpropyl)phenyl]-2-methyltetrazole is sourced from PubChem (CID 141138744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).