N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide

C13H23N5O2 — CID 126797330

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide
SMILESCCn1ncnc1CNC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H23N5O2/c1-4-18-11(15-10-16-18)9-14-12(19)13(2,3)17-5-7-20-8-6-17/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyXYJDJWKCFFDSPL-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.03
Rot. Bonds5

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide (PubChem CID 126797330) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide
PubChem CID126797330
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide
SMILESCCn1ncnc1CNC(=O)C(C)(C)N1CCOCC1
InChIInChI=1S/C13H23N5O2/c1-4-18-11(15-10-16-18)9-14-12(19)13(2,3)17-5-7-20-8-6-17/h10H,4-9H2,1-3H3,(H,14,19)
InChIKeyXYJDJWKCFFDSPL-UHFFFAOYSA-N
XLogP0.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 47253001
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 51082705
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(2-methyl-2-morpholin-4-ylbutyl)urea
CID 53504326
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
N-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-2,5-dimethylmorpholine-4-carboxamide
CID 75397424
1-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]-1,2,4-triazole-3-carbonitrile
CID 25962397
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 94020930
N-((4-(dimethylamino)-6-morpholino-1,3,5-triazin-2-yl)methyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 121138112
2-methyl-2-morpholin-4-yl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]propanamide
CID 128171468
3-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[1-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]propanamide formate
CID 131935851
(1-tert-butyl-1,2,4-triazol-3-yl)-[(5S)-2,2,5-trimethylmorpholin-4-yl]methanone
CID 137984535

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide (CID 126797330) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide is CCn1ncnc1CNC(=O)C(C)(C)N1CCOCC1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is XYJDJWKCFFDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-18-11(15-10-16-18)9-14-12(19)13(2,3)17-5-7-20-8-6-17/h10H,4-9H2,1-3H3,(H,14,19).
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 281.36 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 126797330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).