3-(benzotriazol-1-yl)propanamide

C9H10N4O — CID 741803

IUPAC3-(benzotriazol-1-yl)propanamide
SMILESNC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C9H10N4O/c10-9(14)5-6-13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2,(H2,10,14)
InChIKeyXQOLSTSARQVYIQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.31
Rot. Bonds3

About 3-(benzotriazol-1-yl)propanamide

3-(benzotriazol-1-yl)propanamide (PubChem CID 741803) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)propanamide
PubChem CID741803
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name3-(benzotriazol-1-yl)propanamide
SMILESNC(=O)CCn1nnc2ccccc21
InChIInChI=1S/C9H10N4O/c10-9(14)5-6-13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2,(H2,10,14)
InChIKeyXQOLSTSARQVYIQ-UHFFFAOYSA-N
XLogP0.31
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)propanamide?
The IUPAC name of 3-(benzotriazol-1-yl)propanamide (CID 741803) is 3-(benzotriazol-1-yl)propanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)propanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)propanamide is NC(=O)CCn1nnc2ccccc21.
What is the InChIKey of 3-(benzotriazol-1-yl)propanamide?
The InChIKey is XQOLSTSARQVYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-9(14)5-6-13-8-4-2-1-3-7(8)11-12-13/h1-4H,5-6H2,(H2,10,14).
What are the key properties of 3-(benzotriazol-1-yl)propanamide?
3-(benzotriazol-1-yl)propanamide has a molecular weight of 190.21 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)propanamide is sourced from PubChem (CID 741803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).