1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol

C19H22N8O — CID 161119835

IUPAC1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol
SMILESCc1nnnn1C.Cn1nnnc1CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N4O.C3H6N4/c1-20-15(17-18-19-20)12-16(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-4-5-6-7(3)2/h2-11,21H,12H2,1H3;1-2H3
InChIKeyUKUNECFXPHPWKM-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.21
Rot. Bonds4

About 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol

1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol (PubChem CID 161119835) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol.

Molecular Properties

Compound Name1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol
PubChem CID161119835
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol
SMILESCc1nnnn1C.Cn1nnnc1CC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16N4O.C3H6N4/c1-20-15(17-18-19-20)12-16(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-4-5-6-7(3)2/h2-11,21H,12H2,1H3;1-2H3
InChIKeyUKUNECFXPHPWKM-UHFFFAOYSA-N
XLogP1.21
TPSA107.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1,5-dimethyltetrazole;hydrofluoride
CID 153359282
N,N-dibenzyl-2-(1-methyltetrazol-5-yl)acetamide
CID 110498373
1-(1-methyltriazol-4-yl)-2-phenylbutan-2-ol
CID 107045726
2-(3-methyl-1,2-oxazol-5-yl)-1,1-diphenylethanol
CID 852788
2-[(1-methyltetrazol-5-yl)methyl]benzonitrile
CID 166100100
2-N-(1-methyltetrazol-5-yl)-2-phenylpropane-1,2-diamine
CID 105060698
N-[(1-trityltetrazol-5-yl)methyl]propanamide
CID 125452651
(1-trityltetrazol-5-yl)methanamine
CID 57355261
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
CID 26793169
2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62725113
5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033
2-chloro-N-[(1-methyltetrazol-5-yl)methyl]benzamide
CID 110870969

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol?
The IUPAC name of 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol (CID 161119835) is 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol.
What is the SMILES notation for 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol?
The canonical SMILES for 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol is Cc1nnnn1C.Cn1nnnc1CC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol?
The InChIKey is UKUNECFXPHPWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O.C3H6N4/c1-20-15(17-18-19-20)12-16(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-4-5-6-7(3)2/h2-11,21H,12H2,1H3;1-2H3.
What are the key properties of 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol?
1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol has a molecular weight of 378.44 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyltetrazole;2-(1-methyltetrazol-5-yl)-1,1-diphenylethanol is sourced from PubChem (CID 161119835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).