2-(3-methylbenzotriazol-4-yl)acetamide

C9H10N4O — CID 171505009

IUPAC2-(3-methylbenzotriazol-4-yl)acetamide
SMILESCn1nnc2cccc(CC(N)=O)c21
InChIInChI=1S/C9H10N4O/c1-13-9-6(5-8(10)14)3-2-4-7(9)11-12-13/h2-4H,5H2,1H3,(H2,10,14)
InChIKeyXBZRKCJUTJOBDJ-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.00
Rot. Bonds2

About 2-(3-methylbenzotriazol-4-yl)acetamide

2-(3-methylbenzotriazol-4-yl)acetamide (PubChem CID 171505009) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 2-(3-methylbenzotriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylbenzotriazol-4-yl)acetamide
PubChem CID171505009
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name2-(3-methylbenzotriazol-4-yl)acetamide
SMILESCn1nnc2cccc(CC(N)=O)c21
InChIInChI=1S/C9H10N4O/c1-13-9-6(5-8(10)14)3-2-4-7(9)11-12-13/h2-4H,5H2,1H3,(H2,10,14)
InChIKeyXBZRKCJUTJOBDJ-UHFFFAOYSA-N
XLogP-0.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylbenzotriazol-4-yl)acetaldehyde
CID 83874331
3-methylbenzotriazole-4-carboxamide
CID 130625825
2-(7-ethyl-1-methylindol-3-yl)acetamide
CID 82493072
2-[2-amino-3-(2-amino-2-oxoethyl)phenyl]acetamide
CID 139707024
3-fluoro-N-[(3-methylbenzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146590814
2-(1-methylbenzotriazol-4-yl)acetic acid
CID 83877625
1-chloro-3-[(3-methylbenzotriazol-4-yl)amino]propan-2-ol
CID 168639443
3-[2-(2-methylphenyl)ethyl]benzotriazole-4-carboxylic acid
CID 115932035
4-(3-aminobenzotriazol-4-yl)-2-methylbutan-2-ol
CID 15399150
3-propylbenzotriazole-4-carboxylic acid
CID 112576582
N-[1-[(3-methylbenzotriazol-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296501
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbenzotriazol-4-yl)acetamide?
The IUPAC name of 2-(3-methylbenzotriazol-4-yl)acetamide (CID 171505009) is 2-(3-methylbenzotriazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylbenzotriazol-4-yl)acetamide?
The canonical SMILES for 2-(3-methylbenzotriazol-4-yl)acetamide is Cn1nnc2cccc(CC(N)=O)c21.
What is the InChIKey of 2-(3-methylbenzotriazol-4-yl)acetamide?
The InChIKey is XBZRKCJUTJOBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-13-9-6(5-8(10)14)3-2-4-7(9)11-12-13/h2-4H,5H2,1H3,(H2,10,14).
What are the key properties of 2-(3-methylbenzotriazol-4-yl)acetamide?
2-(3-methylbenzotriazol-4-yl)acetamide has a molecular weight of 190.21 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbenzotriazol-4-yl)acetamide is sourced from PubChem (CID 171505009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).