2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide

C12H23N5O2 — CID 66194678

IUPAC2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCCNCc1cn(C(C)C(=O)NCCCOC)nn1
InChIInChI=1S/C12H23N5O2/c1-4-13-8-11-9-17(16-15-11)10(2)12(18)14-6-5-7-19-3/h9-10,13H,4-8H2,1-3H3,(H,14,18)
InChIKeyMOBVOZRFIOQMNZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.10
Rot. Bonds9

About 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide

2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 66194678) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID66194678
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCCNCc1cn(C(C)C(=O)NCCCOC)nn1
InChIInChI=1S/C12H23N5O2/c1-4-13-8-11-9-17(16-15-11)10(2)12(18)14-6-5-7-19-3/h9-10,13H,4-8H2,1-3H3,(H,14,18)
InChIKeyMOBVOZRFIOQMNZ-UHFFFAOYSA-N
XLogP0.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.10
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-(3-methoxypropyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]propanamide
CID 66194740
N-(2-methoxyethyl)-2-[4-(methylaminomethyl)triazol-1-yl]propanamide
CID 66192312
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-propan-2-ylpropanamide
CID 66205010
2-[4-(ethylaminomethyl)triazol-1-yl]-N-methylpropanamide
CID 66194489
2-[4-(hydroxymethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 62399584
N-(3-methylbutyl)-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194414
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
2-[4-(hydroxymethyl)triazol-1-yl]-N-propylpropanamide
CID 62400159
N-methyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]propanamide
CID 66194200
2-[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]-N-propylpropanamide
CID 114778173
2-[4-(1-aminoethyl)triazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 114419809
ethyl 1-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-5-methyltriazole-4-carboxylate
CID 103105166

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide (CID 66194678) is 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide is CCNCc1cn(C(C)C(=O)NCCCOC)nn1.
What is the InChIKey of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is MOBVOZRFIOQMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-4-13-8-11-9-17(16-15-11)10(2)12(18)14-6-5-7-19-3/h9-10,13H,4-8H2,1-3H3,(H,14,18).
What are the key properties of 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 269.35 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylaminomethyl)triazol-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 66194678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).