N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide

C7H12N4O2 — CID 43417103

IUPACN-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCCO
InChIInChI=1S/C7H12N4O2/c12-6-3-8-7(13)1-4-11-5-2-9-10-11/h2,5,12H,1,3-4,6H2,(H,8,13)
InChIKeyWKAGZMGURAPFCB-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.22
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide

N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide (PubChem CID 43417103) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
PubChem CID43417103
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC NameN-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)NCCO
InChIInChI=1S/C7H12N4O2/c12-6-3-8-7(13)1-4-11-5-2-9-10-11/h2,5,12H,1,3-4,6H2,(H,8,13)
InChIKeyWKAGZMGURAPFCB-UHFFFAOYSA-N
XLogP-1.22
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide (CID 43417103) is N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is WKAGZMGURAPFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c12-6-3-8-7(13)1-4-11-5-2-9-10-11/h2,5,12H,1,3-4,6H2,(H,8,13).
What are the key properties of N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide?
N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 184.20 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 43417103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).