N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide

C10H18N4O2 — CID 115348316

IUPACN-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
SMILESCCCCN(CCO)C(=O)Cn1ccnn1
InChIInChI=1S/C10H18N4O2/c1-2-3-5-13(7-8-15)10(16)9-14-6-4-11-12-14/h4,6,15H,2-3,5,7-9H2,1H3
InChIKeyCDKLIGXDZVBATH-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide

N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide (PubChem CID 115348316) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
PubChem CID115348316
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
SMILESCCCCN(CCO)C(=O)Cn1ccnn1
InChIInChI=1S/C10H18N4O2/c1-2-3-5-13(7-8-15)10(16)9-14-6-4-11-12-14/h4,6,15H,2-3,5,7-9H2,1H3
InChIKeyCDKLIGXDZVBATH-UHFFFAOYSA-N
XLogP-0.10
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[butyl(2-hydroxyethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289948
4-[methyl-[2-(triazol-1-yl)acetyl]amino]butanoic acid
CID 81456321
N,N-dibutyl-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742430
N-(3-aminopropyl)-N-benzyl-2-(triazol-1-yl)acetamide
CID 107366214
N-butyl-2-(2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 61343530
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(tetrazol-1-yl)acetamide
CID 115772554
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N,N-dibutylacetamide
CID 63999942
2-(3-aminopyrazol-1-yl)-N,N-dipentylacetamide
CID 62113064
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
2-[tert-butyl-[2-(triazol-1-yl)acetyl]amino]acetic acid
CID 115348234

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide (CID 115348316) is N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide is CCCCN(CCO)C(=O)Cn1ccnn1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is CDKLIGXDZVBATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-2-3-5-13(7-8-15)10(16)9-14-6-4-11-12-14/h4,6,15H,2-3,5,7-9H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 226.28 g/mol, XLogP of -0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 115348316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).