N-(5-methylbenzotriazol-5-yl)acetamide

C9H10N4O — CID 66878812

IUPACN-(5-methylbenzotriazol-5-yl)acetamide
SMILESCC(=O)NC1(C)C=CC2=NN=NC2=C1
InChIInChI=1S/C9H10N4O/c1-6(14)10-9(2)4-3-7-8(5-9)12-13-11-7/h3-5H,1-2H3,(H,10,14)
InChIKeyARAMQFSZXQRKER-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.16
Rot. Bonds1

About N-(5-methylbenzotriazol-5-yl)acetamide

N-(5-methylbenzotriazol-5-yl)acetamide (PubChem CID 66878812) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is N-(5-methylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-methylbenzotriazol-5-yl)acetamide
PubChem CID66878812
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC NameN-(5-methylbenzotriazol-5-yl)acetamide
SMILESCC(=O)NC1(C)C=CC2=NN=NC2=C1
InChIInChI=1S/C9H10N4O/c1-6(14)10-9(2)4-3-7-8(5-9)12-13-11-7/h3-5H,1-2H3,(H,10,14)
InChIKeyARAMQFSZXQRKER-UHFFFAOYSA-N
XLogP1.16
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylbenzotriazol-5-yl)acetamide?
The IUPAC name of N-(5-methylbenzotriazol-5-yl)acetamide (CID 66878812) is N-(5-methylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for N-(5-methylbenzotriazol-5-yl)acetamide?
The canonical SMILES for N-(5-methylbenzotriazol-5-yl)acetamide is CC(=O)NC1(C)C=CC2=NN=NC2=C1.
What is the InChIKey of N-(5-methylbenzotriazol-5-yl)acetamide?
The InChIKey is ARAMQFSZXQRKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(14)10-9(2)4-3-7-8(5-9)12-13-11-7/h3-5H,1-2H3,(H,10,14).
What are the key properties of N-(5-methylbenzotriazol-5-yl)acetamide?
N-(5-methylbenzotriazol-5-yl)acetamide has a molecular weight of 190.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 66878812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).