N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide

C12H15N5O — CID 110500390

IUPACN-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nnnn2C)c1
InChIInChI=1S/C12H15N5O/c1-8-4-5-9(2)10(6-8)13-12(18)7-11-14-15-16-17(11)3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyOAZZITMMSIZGTF-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.01
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide

N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide (PubChem CID 110500390) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
PubChem CID110500390
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2nnnn2C)c1
InChIInChI=1S/C12H15N5O/c1-8-4-5-9(2)10(6-8)13-12(18)7-11-14-15-16-17(11)3/h4-6H,7H2,1-3H3,(H,13,18)
InChIKeyOAZZITMMSIZGTF-UHFFFAOYSA-N
XLogP1.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500376
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetamide
CID 43910507
N-(4-hydroxyphenyl)-2-(1-methyltetrazol-5-yl)acetamide
CID 110500369
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
2-(1-methyltetrazol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110500529
N-(2,5-dimethylphenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112520811
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
2-[4-(aminomethyl)triazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 62053635
N'-(2,4-dimethylphenyl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]propanediamide
CID 50972244

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide (CID 110500390) is N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide is Cc1ccc(C)c(NC(=O)Cc2nnnn2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is OAZZITMMSIZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-4-5-9(2)10(6-8)13-12(18)7-11-14-15-16-17(11)3/h4-6H,7H2,1-3H3,(H,13,18).
What are the key properties of N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide?
N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 110500390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).