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

C6H10N4O2 — CID 81448502

IUPACN-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCCO
InChIInChI=1S/C6H10N4O2/c11-4-2-7-6(12)5-10-3-1-8-9-10/h1,3,11H,2,4-5H2,(H,7,12)
InChIKeyMJCOXCDJSVRMRJ-UHFFFAOYSA-N
MW170.17 g/mol
LogP-1.61
Rot. Bonds4

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

N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide (PubChem CID 81448502) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
PubChem CID81448502
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC NameN-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCCO
InChIInChI=1S/C6H10N4O2/c11-4-2-7-6(12)5-10-3-1-8-9-10/h1,3,11H,2,4-5H2,(H,7,12)
InChIKeyMJCOXCDJSVRMRJ-UHFFFAOYSA-N
XLogP-1.61
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide (CID 81448502) is N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
The InChIKey is MJCOXCDJSVRMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-4-2-7-6(12)5-10-3-1-8-9-10/h1,3,11H,2,4-5H2,(H,7,12).
What are the key properties of N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide?
N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide has a molecular weight of 170.17 g/mol, XLogP of -1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 81448502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).