2-(benzotriazol-1-yl)butanamide

C10H12N4O — CID 3776181

IUPAC2-(benzotriazol-1-yl)butanamide
SMILESCCC(C(N)=O)n1nnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-2-8(10(11)15)14-9-6-4-3-5-7(9)12-13-14/h3-6,8H,2H2,1H3,(H2,11,15)
InChIKeyNQCTZHKUYXAXTP-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.87
Rot. Bonds3

About 2-(benzotriazol-1-yl)butanamide

2-(benzotriazol-1-yl)butanamide (PubChem CID 3776181) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)butanamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)butanamide
PubChem CID3776181
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(benzotriazol-1-yl)butanamide
SMILESCCC(C(N)=O)n1nnc2ccccc21
InChIInChI=1S/C10H12N4O/c1-2-8(10(11)15)14-9-6-4-3-5-7(9)12-13-14/h3-6,8H,2H2,1H3,(H2,11,15)
InChIKeyNQCTZHKUYXAXTP-UHFFFAOYSA-N
XLogP0.87
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)butanamide?
The IUPAC name of 2-(benzotriazol-1-yl)butanamide (CID 3776181) is 2-(benzotriazol-1-yl)butanamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)butanamide?
The canonical SMILES for 2-(benzotriazol-1-yl)butanamide is CCC(C(N)=O)n1nnc2ccccc21.
What is the InChIKey of 2-(benzotriazol-1-yl)butanamide?
The InChIKey is NQCTZHKUYXAXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-8(10(11)15)14-9-6-4-3-5-7(9)12-13-14/h3-6,8H,2H2,1H3,(H2,11,15).
What are the key properties of 2-(benzotriazol-1-yl)butanamide?
2-(benzotriazol-1-yl)butanamide has a molecular weight of 204.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)butanamide is sourced from PubChem (CID 3776181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).