N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide

C9H16N4O2 — CID 62399822

IUPACN-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
SMILESCCNC(=O)CCn1cc(CCO)nn1
InChIInChI=1S/C9H16N4O2/c1-2-10-9(15)3-5-13-7-8(4-6-14)11-12-13/h7,14H,2-6H2,1H3,(H,10,15)
InChIKeyOVXOKDZGNQZZQY-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.66
Rot. Bonds6

About N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide

N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide (PubChem CID 62399822) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
PubChem CID62399822
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
SMILESCCNC(=O)CCn1cc(CCO)nn1
InChIInChI=1S/C9H16N4O2/c1-2-10-9(15)3-5-13-7-8(4-6-14)11-12-13/h7,14H,2-6H2,1H3,(H,10,15)
InChIKeyOVXOKDZGNQZZQY-UHFFFAOYSA-N
XLogP-0.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-propylacetamide
CID 62399435
3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen
CID 178007494
4-[1-(3-oxobutyl)triazol-4-yl]butan-2-one
CID 58003253
N-(3-fluorophenyl)-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401145
3-[4-(aminomethyl)triazol-1-yl]-N-carbamoylpropanamide
CID 62053982
N-[2-[2-[2-[2-[2-[1-(2-propoxyethyl)triazol-4-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 176686546
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
3-[4-(aminomethyl)triazol-1-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 170144500
N-[2-[1-[3-(ethylamino)propyl]triazol-4-yl]ethyl]acetamide
CID 170201876
N-[2-[1-(3-aminopropyl)triazol-4-yl]ethyl]propanamide;ethane
CID 163400080
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide (CID 62399822) is N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide is CCNC(=O)CCn1cc(CCO)nn1.
What is the InChIKey of N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
The InChIKey is OVXOKDZGNQZZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-10-9(15)3-5-13-7-8(4-6-14)11-12-13/h7,14H,2-6H2,1H3,(H,10,15).
What are the key properties of N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide?
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide is sourced from PubChem (CID 62399822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).