3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

C15H17N5O — CID 119101658

IUPAC3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H17N5O/c1-11(2)14(10-20-17-6-7-18-20)19-15(21)13-5-3-4-12(8-13)9-16/h3-8,11,14H,10H2,1-2H3,(H,19,21)
InChIKeyRCKWTKRVBGLKME-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.60
Rot. Bonds5

About 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide

3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (PubChem CID 119101658) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
PubChem CID119101658
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
SMILESCC(C)C(Cn1nccn1)NC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H17N5O/c1-11(2)14(10-20-17-6-7-18-20)19-15(21)13-5-3-4-12(8-13)9-16/h3-8,11,14H,10H2,1-2H3,(H,19,21)
InChIKeyRCKWTKRVBGLKME-UHFFFAOYSA-N
XLogP1.60
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
3-cyano-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859806
3-cyano-N-(2,4-dimethylpentan-3-yl)benzamide
CID 24961543
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-cyano-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35324088
5-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]pyridine-3-carboxamide
CID 121018993
3-cyano-N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 95200344
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056
3-cyano-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46820237

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide (CID 119101658) is 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is CC(C)C(Cn1nccn1)NC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
The InChIKey is RCKWTKRVBGLKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11(2)14(10-20-17-6-7-18-20)19-15(21)13-5-3-4-12(8-13)9-16/h3-8,11,14H,10H2,1-2H3,(H,19,21).
What are the key properties of 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide?
3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide has a molecular weight of 283.34 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 119101658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).