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

C12H21N5O2 — CID 131935697

IUPAC4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
SMILESCCc1n[nH]c(CN2CCOC(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H21N5O2/c1-4-10-13-11(15-14-10)8-17-5-6-19-9(7-17)12(18)16(2)3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyPKEMSAYDNLQNKC-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.34
Rot. Bonds4

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

4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide (PubChem CID 131935697) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
PubChem CID131935697
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
SMILESCCc1n[nH]c(CN2CCOC(C(=O)N(C)C)C2)n1
InChIInChI=1S/C12H21N5O2/c1-4-10-13-11(15-14-10)8-17-5-6-19-9(7-17)12(18)16(2)3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyPKEMSAYDNLQNKC-UHFFFAOYSA-N
XLogP-0.34
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 131928614
N,N-dimethyl-4-propylmorpholine-2-carboxamide
CID 177158448
(2S)-2-(4-ethylphenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine
CID 124622147
2-(3,4-dichlorophenyl)-4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]morpholine;formic acid
CID 163340417
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
4-[(3-chloro-1H-indol-2-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 131947858
(3aR,6aR)-5-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 139599542
(2R)-4-benzyl-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N-methylmorpholine-2-carboxamide
CID 97059704
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
The IUPAC name of 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide (CID 131935697) is 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
The canonical SMILES for 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide is CCc1n[nH]c(CN2CCOC(C(=O)N(C)C)C2)n1.
What is the InChIKey of 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
The InChIKey is PKEMSAYDNLQNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-10-13-11(15-14-10)8-17-5-6-19-9(7-17)12(18)16(2)3/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide?
4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N,N-dimethylmorpholine-2-carboxamide is sourced from PubChem (CID 131935697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).