(2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide

C13H24N4O — CID 124841291

IUPAC(2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide
SMILESCCCC[C@H](C)C(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C13H24N4O/c1-6-7-8-10(4)12(18)15-13-14-11(9(2)3)16-17(13)5/h9-10H,6-8H2,1-5H3,(H,14,15,16,18)/t10-/m0/s1
InChIKeyAEVQPKHXBVTWBY-JTQLQIEISA-N
MW252.36 g/mol
LogP2.70
Rot. Bonds6

About (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide

(2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide (PubChem CID 124841291) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide
PubChem CID124841291
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide
SMILESCCCC[C@H](C)C(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C13H24N4O/c1-6-7-8-10(4)12(18)15-13-14-11(9(2)3)16-17(13)5/h9-10H,6-8H2,1-5H3,(H,14,15,16,18)/t10-/m0/s1
InChIKeyAEVQPKHXBVTWBY-JTQLQIEISA-N
XLogP2.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide?
The IUPAC name of (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide (CID 124841291) is (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide.
What is the SMILES notation for (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide?
The canonical SMILES for (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide is CCCC[C@H](C)C(=O)Nc1nc(C(C)C)nn1C.
What is the InChIKey of (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide?
The InChIKey is AEVQPKHXBVTWBY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-7-8-10(4)12(18)15-13-14-11(9(2)3)16-17(13)5/h9-10H,6-8H2,1-5H3,(H,14,15,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide?
(2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide has a molecular weight of 252.36 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)hexanamide is sourced from PubChem (CID 124841291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).