2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol

C12H16N4O — CID 79173649

IUPAC2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
SMILESCC(C)(O)CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H16N4O/c1-12(2,17)8-9-16-14-11(13-15-16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3
InChIKeyJJDBVDSWXYVGQZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.50
Rot. Bonds4

About 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol

2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol (PubChem CID 79173649) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
PubChem CID79173649
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
SMILESCC(C)(O)CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C12H16N4O/c1-12(2,17)8-9-16-14-11(13-15-16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3
InChIKeyJJDBVDSWXYVGQZ-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-phenyltetrazol-2-yl)propanal
CID 63038867
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2-(5-phenyltetrazol-2-yl)acetic acid
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N-methyl-5-(5-phenyltetrazol-2-yl)pentan-1-amine
CID 62447153
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 111484159
4-fluoro-N-[2-(5-phenyltetrazol-2-yl)ethyl]aniline
CID 62563128
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
CID 62562414
1-tert-butyl-5-[(5-phenyltetrazol-2-yl)methyl]tetrazole
CID 171317663
2-tert-butyl-5-phenyltetrazole;propanoic acid
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4-[5-(4-phenylphenyl)tetrazol-2-yl]butanenitrile
CID 10755867

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol (CID 79173649) is 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol is CC(C)(O)CCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol?
The InChIKey is JJDBVDSWXYVGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-12(2,17)8-9-16-14-11(13-15-16)10-6-4-3-5-7-10/h3-7,17H,8-9H2,1-2H3.
What are the key properties of 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol?
2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol has a molecular weight of 232.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol is sourced from PubChem (CID 79173649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).