4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide

C13H17N5O — CID 645076

IUPAC4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C13H17N5O/c1-13(2,3)10-7-5-9(6-8-10)11(19)14-12-15-17-18(4)16-12/h5-8H,1-4H3,(H,14,16,19)
InChIKeyAYPFQTLKOBNBFQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.76
Rot. Bonds2

About 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide

4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide (PubChem CID 645076) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
PubChem CID645076
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide
SMILESCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C13H17N5O/c1-13(2,3)10-7-5-9(6-8-10)11(19)14-12-15-17-18(4)16-12/h5-8H,1-4H3,(H,14,16,19)
InChIKeyAYPFQTLKOBNBFQ-UHFFFAOYSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-hydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 137006878
3-iodo-N-(2-methyltetrazol-5-yl)benzamide
CID 824051
N-(2-methyltetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 959481
1-(4-tert-butylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063406
3-bromo-5-methyl-N-(2-methyltetrazol-5-yl)benzamide
CID 104852902
4-ethyl-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 953458
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 107723429
2-chloro-N-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 164646976
N-(2-methyltetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 75430284
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
2,3-difluoro-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105381449

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide (CID 645076) is 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide is Cn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide?
The InChIKey is AYPFQTLKOBNBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(2,3)10-7-5-9(6-8-10)11(19)14-12-15-17-18(4)16-12/h5-8H,1-4H3,(H,14,16,19).
What are the key properties of 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide?
4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-methyltetrazol-5-yl)benzamide is sourced from PubChem (CID 645076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).