1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone

C14H18N4O — CID 107063406

IUPAC1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h5-8H,9H2,1-4H3
InChIKeyONPNZMXESMIZJA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107063406) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107063406
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C14H18N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h5-8H,9H2,1-4H3
InChIKeyONPNZMXESMIZJA-UHFFFAOYSA-N
XLogP1.93
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107063236
2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
CID 130573080
1-(3-bromo-4-fluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047423
1-(5-methylfuran-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063527
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
CID 645076
2-(2-methyltetrazol-5-yl)-1-(3-methylthiophen-2-yl)ethanone
CID 107063462
1-(2,3-dihydro-1H-indol-5-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061812
1-(2-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046873
4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107063406) is 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is ONPNZMXESMIZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)11-7-5-10(6-8-11)12(19)9-13-15-17-18(4)16-13/h5-8H,9H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107063406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).