2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide

C12H22N4O2 — CID 90650243

IUPAC2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(C)C(O)C(=O)NCCc1nncn1C(C)C
InChIInChI=1S/C12H22N4O2/c1-8(2)11(17)12(18)13-6-5-10-15-14-7-16(10)9(3)4/h7-9,11,17H,5-6H2,1-4H3,(H,13,18)
InChIKeyXAOGYMOEKYUJGD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.53
Rot. Bonds6

About 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide

2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide (PubChem CID 90650243) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
PubChem CID90650243
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(C)C(O)C(=O)NCCc1nncn1C(C)C
InChIInChI=1S/C12H22N4O2/c1-8(2)11(17)12(18)13-6-5-10-15-14-7-16(10)9(3)4/h7-9,11,17H,5-6H2,1-4H3,(H,13,18)
InChIKeyXAOGYMOEKYUJGD-UHFFFAOYSA-N
XLogP0.53
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide (CID 90650243) is 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide is CC(C)C(O)C(=O)NCCc1nncn1C(C)C.
What is the InChIKey of 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
The InChIKey is XAOGYMOEKYUJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)11(17)12(18)13-6-5-10-15-14-7-16(10)9(3)4/h7-9,11,17H,5-6H2,1-4H3,(H,13,18).
What are the key properties of 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide?
2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide has a molecular weight of 254.33 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 90650243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).