2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

C11H19N5O3 — CID 137198737

IUPAC2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)(C(=O)NCc1n[nH]c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C11H19N5O3/c1-11(2,16-3-5-19-6-4-16)9(17)12-7-8-13-10(18)15-14-8/h3-7H2,1-2H3,(H,12,17)(H2,13,14,15,18)
InChIKeyLSDRLKTUGYTPJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.17
Rot. Bonds4

About 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide

2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 137198737) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID137198737
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCC(C)(C(=O)NCc1n[nH]c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C11H19N5O3/c1-11(2,16-3-5-19-6-4-16)9(17)12-7-8-13-10(18)15-14-8/h3-7H2,1-2H3,(H,12,17)(H2,13,14,15,18)
InChIKeyLSDRLKTUGYTPJC-UHFFFAOYSA-N
XLogP-1.17
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide (CID 137198737) is 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is CC(C)(C(=O)NCc1n[nH]c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is LSDRLKTUGYTPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-11(2,16-3-5-19-6-4-16)9(17)12-7-8-13-10(18)15-14-8/h3-7H2,1-2H3,(H,12,17)(H2,13,14,15,18).
What are the key properties of 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide?
2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 269.30 g/mol, XLogP of -1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 137198737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).