2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide

C11H21N5O3 — CID 115459604

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H21N5O3/c1-18-5-6-19-4-2-3-13-11(17)9-16-8-10(7-12)14-15-16/h8H,2-7,9,12H2,1H3,(H,13,17)
InChIKeyZZCFFOVBMZAVAS-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.09
Rot. Bonds10

About 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide

2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide (PubChem CID 115459604) has the molecular formula C11H21N5O3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
PubChem CID115459604
Molecular FormulaC11H21N5O3
Molecular Weight271.32 g/mol
Exact Mass271.16
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
SMILESCOCCOCCCNC(=O)Cn1cc(CN)nn1
InChIInChI=1S/C11H21N5O3/c1-18-5-6-19-4-2-3-13-11(17)9-16-8-10(7-12)14-15-16/h8H,2-7,9,12H2,1H3,(H,13,17)
InChIKeyZZCFFOVBMZAVAS-UHFFFAOYSA-N
XLogP-1.09
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)acetamide
CID 113314179
2-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 169139545
t-Butyl {[1-(2-amino-2-oxoethyl)-1h-1,2,3-triazol-4-yl]methyl}carbamate
CID 75537386
2-amino-N-[2-[[(1S)-1-[1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]triazol-4-yl]ethyl]amino]-2-oxoethyl]acetamide
CID 162409029
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 62054131
2-[4-[(tert-butylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191701
2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66191828
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66192308
2-[4-(propylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66192769
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66194008
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66194680
2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 66204812

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide (CID 115459604) is 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide is COCCOCCCNC(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide?
The InChIKey is ZZCFFOVBMZAVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3/c1-18-5-6-19-4-2-3-13-11(17)9-16-8-10(7-12)14-15-16/h8H,2-7,9,12H2,1H3,(H,13,17).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of -1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide is sourced from PubChem (CID 115459604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).