N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide

C12H23N5O2 — CID 66205021

IUPACN-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cc(CNCCOC)nn1
InChIInChI=1S/C12H23N5O2/c1-3-4-5-14-12(18)10-17-9-11(15-16-17)8-13-6-7-19-2/h9,13H,3-8,10H2,1-2H3,(H,14,18)
InChIKeyGHHFAALBMQVRHF-UHFFFAOYSA-N
MW269.35 g/mol
LogP-0.07
Rot. Bonds10

About N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide

N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66205021) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
PubChem CID66205021
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC NameN-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cc(CNCCOC)nn1
InChIInChI=1S/C12H23N5O2/c1-3-4-5-14-12(18)10-17-9-11(15-16-17)8-13-6-7-19-2/h9,13H,3-8,10H2,1-2H3,(H,14,18)
InChIKeyGHHFAALBMQVRHF-UHFFFAOYSA-N
XLogP-0.07
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 5-0.07
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-[(1-heptyltriazol-4-yl)methyl]-2-methoxyethanamine
CID 66192486
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)triazol-1-yl]acetamide
CID 66192745
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-methylacetamide
CID 66205413
2-[4-(4-aminobutyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106209416
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 106220901
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-1-piperidin-1-ylethanone
CID 66206840
2-amino-3-[1-[2-(butylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116734900
2-amino-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735160
2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106720364
N-(methylcarbamoyl)-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66192957
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide (CID 66205021) is N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide is CCCCNC(=O)Cn1cc(CNCCOC)nn1.
What is the InChIKey of N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is GHHFAALBMQVRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-3-4-5-14-12(18)10-17-9-11(15-16-17)8-13-6-7-19-2/h9,13H,3-8,10H2,1-2H3,(H,14,18).
What are the key properties of N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide?
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 269.35 g/mol, XLogP of -0.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66205021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).