2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol

C14H20N4O — CID 83151612

IUPAC2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol
SMILESCC(C)C(C)(CO)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-11(2)14(3,10-19)9-13-15-16-17-18(13)12-7-5-4-6-8-12/h4-8,11,19H,9-10H2,1-3H3
InChIKeyAQEVGOCMDMUZTC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.86
Rot. Bonds5

About 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol

2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol (PubChem CID 83151612) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol
PubChem CID83151612
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol
SMILESCC(C)C(C)(CO)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C14H20N4O/c1-11(2)14(3,10-19)9-13-15-16-17-18(13)12-7-5-4-6-8-12/h4-8,11,19H,9-10H2,1-3H3
InChIKeyAQEVGOCMDMUZTC-UHFFFAOYSA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-phenyltetrazole
CID 79453033
2-methyl-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 79811196
2-methyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62725113
5-(2-bromopropyl)-1-phenyltetrazole
CID 63203207
2-(hydroxymethyl)-2-[(1-phenyltetrazol-5-yl)methylamino]propane-1,3-diol
CID 107852716
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
dimethyl-[(1-phenyltetrazol-5-yl)methyl]azanium
CID 7303876
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol?
The IUPAC name of 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol (CID 83151612) is 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol.
What is the SMILES notation for 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol?
The canonical SMILES for 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol is CC(C)C(C)(CO)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol?
The InChIKey is AQEVGOCMDMUZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(2)14(3,10-19)9-13-15-16-17-18(13)12-7-5-4-6-8-12/h4-8,11,19H,9-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol?
2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-ol is sourced from PubChem (CID 83151612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).