2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

C12H15N5O — CID 60911793

IUPAC2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C12H15N5O/c1-7-4-5-8(2)10(6-7)12(18)13-9(3)11-14-16-17-15-11/h4-6,9H,1-3H3,(H,13,18)(H,14,15,16,17)
InChIKeySYTKXLQNKHLESP-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.31
Rot. Bonds3

About 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide

2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (PubChem CID 60911793) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
PubChem CID60911793
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
SMILESCc1ccc(C)c(C(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C12H15N5O/c1-7-4-5-8(2)10(6-7)12(18)13-9(3)11-14-16-17-15-11/h4-6,9H,1-3H3,(H,13,18)(H,14,15,16,17)
InChIKeySYTKXLQNKHLESP-UHFFFAOYSA-N
XLogP1.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62248741
5-bromo-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60912142
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 95227310
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
4-hydrazinyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyridine-3-carboxamide
CID 81256281
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
3-hydroxy-4-iodo-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 114103230
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
CID 64997381
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
N-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103120449

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide (CID 60911793) is 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is Cc1ccc(C)c(C(=O)NC(C)c2nn[nH]n2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
The InChIKey is SYTKXLQNKHLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-7-4-5-8(2)10(6-7)12(18)13-9(3)11-14-16-17-15-11/h4-6,9H,1-3H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide?
2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 60911793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).