N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide

C12H21N5O3 — CID 165423093

IUPACN,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCC(CN(C)C(=O)c1nn(C)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C12H21N5O3/c1-9(17-4-6-20-7-5-17)8-15(2)11(18)10-13-12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14,19)
InChIKeyVQMCLFJUNCXVAT-UHFFFAOYSA-N
MW283.33 g/mol
LogP-1.10
Rot. Bonds4

About N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide

N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 165423093) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID165423093
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC NameN,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCC(CN(C)C(=O)c1nn(C)c(=O)[nH]1)N1CCOCC1
InChIInChI=1S/C12H21N5O3/c1-9(17-4-6-20-7-5-17)8-15(2)11(18)10-13-12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14,19)
InChIKeyVQMCLFJUNCXVAT-UHFFFAOYSA-N
XLogP-1.10
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]-2-phenylpyrimidine-5-carboxamide
CID 95551014
3-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-1-methyl-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 125441821
4-(2-acetylphenyl)-N-methyl-N-[(2R)-2-morpholin-4-ylpropyl]benzamide
CID 126428736
4-(2-acetylphenyl)-N-methyl-N-[(2S)-2-morpholin-4-ylpropyl]benzamide
CID 126428735
N-methyl-2-(2-methylprop-2-enoxy)-N-(2-morpholin-4-ylpropyl)benzamide
CID 46983829
2-[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]-N-(1-methylpyrazol-3-yl)acetamide
CID 124756782
5-chloro-N-(2-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-3-carboxamide
CID 119035014
2-[[methyl-[(2S)-2-morpholin-4-ylpropyl]amino]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 124906724
1-methyl-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-[(2S)-2-morpholin-4-ylpropyl]urea
CID 126452651
N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97274513
N,1,3-trimethyl-N-[(2R)-2-morpholin-4-ylpropyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 95869116
N,1,3-trimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-amine
CID 95873812

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 165423093) is N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide is CC(CN(C)C(=O)c1nn(C)c(=O)[nH]1)N1CCOCC1.
What is the InChIKey of N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is VQMCLFJUNCXVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-9(17-4-6-20-7-5-17)8-15(2)11(18)10-13-12(19)16(3)14-10/h9H,4-8H2,1-3H3,(H,13,14,19).
What are the key properties of N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-morpholin-4-ylpropyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 165423093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).