N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

C10H19N5O2 — CID 82994001

IUPACN-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCNCCNC(=O)CCn1cncn1
InChIInChI=1S/C10H19N5O2/c1-17-7-5-11-3-4-13-10(16)2-6-15-9-12-8-14-15/h8-9,11H,2-7H2,1H3,(H,13,16)
InChIKeyJQNJIVNKDVYXBU-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.98
Rot. Bonds9

About N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 82994001) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID82994001
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOCCNCCNC(=O)CCn1cncn1
InChIInChI=1S/C10H19N5O2/c1-17-7-5-11-3-4-13-10(16)2-6-15-9-12-8-14-15/h8-9,11H,2-7H2,1H3,(H,13,16)
InChIKeyJQNJIVNKDVYXBU-UHFFFAOYSA-N
XLogP-0.98
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.98
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

methyl 6-[3-(1,2,4-triazol-1-yl)propanoylamino]hexanoate
CID 43423421
N-[2-(2-methoxyethylamino)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 82993648
N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 113364762
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
methyl 3-(1,2,4-triazol-1-yl)propanoate;hydrochloride
CID 51051880
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103799249
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555927
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 82994001) is N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide is COCCNCCNC(=O)CCn1cncn1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JQNJIVNKDVYXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-17-7-5-11-3-4-13-10(16)2-6-15-9-12-8-14-15/h8-9,11H,2-7H2,1H3,(H,13,16).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[2-(2-methoxyethylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 241.29 g/mol, XLogP of -0.98, 9 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]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 82994001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).