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

C11H19N5O — CID 106221307

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CCCN)nn1)C1CC1
InChIInChI=1S/C11H19N5O/c1-15(10-4-5-10)11(17)8-16-7-9(13-14-16)3-2-6-12/h7,10H,2-6,8,12H2,1H3
InChIKeyNWNXHBBHDJWYIE-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.21
Rot. Bonds6

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

2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 106221307) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID106221307
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(CCCN)nn1)C1CC1
InChIInChI=1S/C11H19N5O/c1-15(10-4-5-10)11(17)8-16-7-9(13-14-16)3-2-6-12/h7,10H,2-6,8,12H2,1H3
InChIKeyNWNXHBBHDJWYIE-UHFFFAOYSA-N
XLogP-0.21
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide
CID 62055546
2-[4-(3-aminopropyl)triazol-1-yl]-N-ethyl-N-methylacetamide
CID 106221459
2-[4-(aminomethyl)triazol-1-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 62053957
2-[4-(3-aminopropyl)triazol-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 106220974
1-(4-acetylpiperazin-1-yl)-2-[4-(3-aminopropyl)triazol-1-yl]ethanone
CID 106221205
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 106220969
2-[4-(aminomethyl)triazol-1-yl]-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631909
2-[4-(3-aminopropyl)triazol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 106220762
2-[4-(3-aminopropyl)triazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 106221300
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 63997330
2-[4-(4-aminobutyl)triazol-1-yl]-N-methylacetamide
CID 106209353
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentyl-N-ethylacetamide
CID 113314068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide (CID 106221307) is 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cc(CCCN)nn1)C1CC1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is NWNXHBBHDJWYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-15(10-4-5-10)11(17)8-16-7-9(13-14-16)3-2-6-12/h7,10H,2-6,8,12H2,1H3.
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[4-(3-aminopropyl)triazol-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 237.31 g/mol, XLogP of -0.21, 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-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 106221307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).