2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide

C10H19N5O — CID 106221459

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CCCN)nn1
InChIInChI=1S/C10H19N5O/c1-3-14(2)10(16)8-15-7-9(12-13-15)5-4-6-11/h7H,3-6,8,11H2,1-2H3
InChIKeyMOTUVYHGDQFXQO-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.35
Rot. Bonds6

About 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide

2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide (PubChem CID 106221459) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
PubChem CID106221459
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)Cn1cc(CCCN)nn1
InChIInChI=1S/C10H19N5O/c1-3-14(2)10(16)8-15-7-9(12-13-15)5-4-6-11/h7H,3-6,8,11H2,1-2H3
InChIKeyMOTUVYHGDQFXQO-UHFFFAOYSA-N
XLogP-0.35
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 62053781
2-[4-(3-aminopropyl)triazol-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 106220974
2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 106221307
2-[4-(4-aminobutyl)triazol-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 106209265
N-ethyl-N-methyl-2-[4-(propylaminomethyl)triazol-1-yl]acetamide
CID 66194702
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205
methyl N-[2-[4-(3-aminopropyl)triazol-1-yl]acetyl]carbamate
CID 106221194
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
ethyl N-[2-[4-(4-aminobutyl)triazol-1-yl]acetyl]carbamate
CID 106209418
3-[4-(3-aminopropyl)triazol-1-yl]-2-methylpropanamide
CID 106221461

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide (CID 106221459) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)Cn1cc(CCCN)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
The InChIKey is MOTUVYHGDQFXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-14(2)10(16)8-15-7-9(12-13-15)5-4-6-11/h7H,3-6,8,11H2,1-2H3.
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide has a molecular weight of 225.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 106221459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).