2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide

C10H12N6O2 — CID 55066754

IUPAC2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1ncccn1
InChIInChI=1S/C10H12N6O2/c17-5-2-8-6-16(15-14-8)7-9(18)13-10-11-3-1-4-12-10/h1,3-4,6,17H,2,5,7H2,(H,11,12,13,18)
InChIKeyOIDMWWYYIQBZHZ-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.76
Rot. Bonds5

About 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide

2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 55066754) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID55066754
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1ncccn1
InChIInChI=1S/C10H12N6O2/c17-5-2-8-6-16(15-14-8)7-9(18)13-10-11-3-1-4-12-10/h1,3-4,6,17H,2,5,7H2,(H,11,12,13,18)
InChIKeyOIDMWWYYIQBZHZ-UHFFFAOYSA-N
XLogP-0.76
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide (CID 55066754) is 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide is O=C(Cn1cc(CCO)nn1)Nc1ncccn1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is OIDMWWYYIQBZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c17-5-2-8-6-16(15-14-8)7-9(18)13-10-11-3-1-4-12-10/h1,3-4,6,17H,2,5,7H2,(H,11,12,13,18).
What are the key properties of 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide?
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 248.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)triazol-1-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 55066754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).