N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide

C11H19N5O2 — CID 131928614

IUPACN,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
SMILESCc1nc(CN2CCOC(C(=O)N(C)C)C2)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-8-12-10(14-13-8)7-16-4-5-18-9(6-16)11(17)15(2)3/h9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyWRGFXTUJHVSWBV-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.60
Rot. Bonds3

About N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide

N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide (PubChem CID 131928614) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
PubChem CID131928614
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
SMILESCc1nc(CN2CCOC(C(=O)N(C)C)C2)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-8-12-10(14-13-8)7-16-4-5-18-9(6-16)11(17)15(2)3/h9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyWRGFXTUJHVSWBV-UHFFFAOYSA-N
XLogP-0.60
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131935697
N,N-dimethyl-4-propylmorpholine-2-carboxamide
CID 177158448
4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131902756
4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
N,N-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-2-carboxamide
CID 131925823
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
2-ethyl-1-[6-hydroxy-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,4-diazepan-1-yl]butan-1-one
CID 74244622
4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131947858
1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine
CID 130636516
1-acetyl-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxamide
CID 64510407
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide (CID 131928614) is N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide is Cc1nc(CN2CCOC(C(=O)N(C)C)C2)n[nH]1.
What is the InChIKey of N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
The InChIKey is WRGFXTUJHVSWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8-12-10(14-13-8)7-16-4-5-18-9(6-16)11(17)15(2)3/h9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide?
N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 131928614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).