(2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide

C12H19N5O3 — CID 124954928

IUPAC(2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide
SMILESCC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)n1cncn1
InChIInChI=1S/C12H19N5O3/c1-11(2,17-8-14-7-15-17)10(19)16-4-5-20-12(3,6-16)9(13)18/h7-8H,4-6H2,1-3H3,(H2,13,18)/t12-/m0/s1
InChIKeyFGAGMHXOEDOUBE-LBPRGKRZSA-N
MW281.32 g/mol
LogP-0.88
Rot. Bonds3

About (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide

(2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide (PubChem CID 124954928) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide
PubChem CID124954928
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name(2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide
SMILESCC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)n1cncn1
InChIInChI=1S/C12H19N5O3/c1-11(2,17-8-14-7-15-17)10(19)16-4-5-20-12(3,6-16)9(13)18/h7-8H,4-6H2,1-3H3,(H2,13,18)/t12-/m0/s1
InChIKeyFGAGMHXOEDOUBE-LBPRGKRZSA-N
XLogP-0.88
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide (CID 124954928) is (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide is CC(C)(C(=O)N1CCO[C@](C)(C(N)=O)C1)n1cncn1.
What is the InChIKey of (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide?
The InChIKey is FGAGMHXOEDOUBE-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-11(2,17-8-14-7-15-17)10(19)16-4-5-20-12(3,6-16)9(13)18/h7-8H,4-6H2,1-3H3,(H2,13,18)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide?
(2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[2-methyl-2-(1,2,4-triazol-1-yl)propanoyl]morpholine-2-carboxamide is sourced from PubChem (CID 124954928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).