4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide

C16H23N5O — CID 71917954

IUPAC4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CCCN(C)C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-13(17-16(22)10-7-11-20(2)3)15-12-21(19-18-15)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,17,22)
InChIKeyVQIIUNMJLGKGPA-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.79
Rot. Bonds7

About 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide

4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide (PubChem CID 71917954) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide
PubChem CID71917954
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide
SMILESCC(NC(=O)CCCN(C)C)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C16H23N5O/c1-13(17-16(22)10-7-11-20(2)3)15-12-21(19-18-15)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,17,22)
InChIKeyVQIIUNMJLGKGPA-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide (CID 71917954) is 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide is CC(NC(=O)CCCN(C)C)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide?
The InChIKey is VQIIUNMJLGKGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-13(17-16(22)10-7-11-20(2)3)15-12-21(19-18-15)14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,17,22).
What are the key properties of 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide?
4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-(1-phenyltriazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 71917954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).