N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

C10H19N5O2 — CID 82993648

IUPACN-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCNCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C10H19N5O2/c1-9(15-8-12-7-14-15)10(16)13-4-3-11-5-6-17-2/h7-9,11H,3-6H2,1-2H3,(H,13,16)
InChIKeyHWGGKVFGWAFNGX-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.81
Rot. Bonds8

About N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide

N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 82993648) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID82993648
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCNCCNC(=O)C(C)n1cncn1
InChIInChI=1S/C10H19N5O2/c1-9(15-8-12-7-14-15)10(16)13-4-3-11-5-6-17-2/h7-9,11H,3-6H2,1-2H3,(H,13,16)
InChIKeyHWGGKVFGWAFNGX-UHFFFAOYSA-N
XLogP-0.81
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 82994001
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
ethyl 2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoate
CID 54960602
(2R)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid
CID 78972744
(2S)-N-[2-(4-methoxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950233
N-[2-(4-methylphenoxy)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51077253
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 94069814
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
methyl 4-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoate
CID 43423843
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 82993648) is N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is COCCNCCNC(=O)C(C)n1cncn1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HWGGKVFGWAFNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-9(15-8-12-7-14-15)10(16)13-4-3-11-5-6-17-2/h7-9,11H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide?
N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 82993648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).