N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

C9H15N5O3 — CID 136831995

IUPACN-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N5O3/c15-8(7-11-9(16)13-12-7)10-1-2-14-3-5-17-6-4-14/h1-6H2,(H,10,15)(H2,11,12,13,16)
InChIKeyXWFQGYKPCDUHSL-UHFFFAOYSA-N
MW241.25 g/mol
LogP-1.84
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide

N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 136831995) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID136831995
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC NameN-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C9H15N5O3/c15-8(7-11-9(16)13-12-7)10-1-2-14-3-5-17-6-4-14/h1-6H2,(H,10,15)(H2,11,12,13,16)
InChIKeyXWFQGYKPCDUHSL-UHFFFAOYSA-N
XLogP-1.84
TPSA103.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

as-Triazine-3,5(2H,4H)-dione, 6-morpholino-
CID 199788
6-(3-Morpholin-4-yl-3-oxo-propylamino)-2H-[1,2,4]triazine-3,5-dione
CID 655160
3-(Morpholin-4-ylmethyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136629424
4-methyl-6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione
CID 23272753
6-(2-morpholin-4-ylethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410635
6-(3-morpholin-4-ylpropylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410709
6-(2-ethoxyethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43646874
6-[2-(aminomethyl)morpholin-4-yl]-2H-1,2,4-triazine-3,5-dione
CID 61338377
6-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 62844169
6-[2-(2-aminoethoxy)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 63767021
6-[2-(2-methoxyethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 83030594
6-[2-[2-(dimethylamino)ethoxy]ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 104705426

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 136831995) is N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is O=C(NCCN1CCOCC1)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is XWFQGYKPCDUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c15-8(7-11-9(16)13-12-7)10-1-2-14-3-5-17-6-4-14/h1-6H2,(H,10,15)(H2,11,12,13,16).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of -1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136831995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).