2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide

C10H19N5O2 — CID 106220901

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(CCCN)nn1
InChIInChI=1S/C10H19N5O2/c1-17-6-5-12-10(16)8-15-7-9(13-14-15)3-2-4-11/h7H,2-6,8,11H2,1H3,(H,12,16)
InChIKeyRHPQSICMHQQNPV-UHFFFAOYSA-N
MW241.29 g/mol
LogP-1.07
Rot. Bonds8

About 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 106220901) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID106220901
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(CCCN)nn1
InChIInChI=1S/C10H19N5O2/c1-17-6-5-12-10(16)8-15-7-9(13-14-15)3-2-4-11/h7H,2-6,8,11H2,1H3,(H,12,16)
InChIKeyRHPQSICMHQQNPV-UHFFFAOYSA-N
XLogP-1.07
TPSA95.06 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 ≤ 5-1.07
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

2-[4-(4-aminobutyl)triazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 106209416
methyl N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]carbamate
CID 106221194
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
2-amino-3-[1-[2-(3-methoxypropylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735160
2-[4-(3-aminopropyl)triazol-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 106220974
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106220994
N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]benzamide
CID 106221027
ethyl N-[2-[4-(4-aminobutyl)triazol-1-yl]acetyl]carbamate
CID 106209418
2-[4-(4-aminobutyl)triazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 106209205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide (CID 106220901) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(CCCN)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is RHPQSICMHQQNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-17-6-5-12-10(16)8-15-7-9(13-14-15)3-2-4-11/h7H,2-6,8,11H2,1H3,(H,12,16).
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 241.29 g/mol, XLogP of -1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 106220901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).