1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one

C12H15N5O — CID 82907447

IUPAC1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one
SMILESNc1nnn(CCn2ccccc2=O)c1C1CC1
InChIInChI=1S/C12H15N5O/c13-12-11(9-4-5-9)17(15-14-12)8-7-16-6-2-1-3-10(16)18/h1-3,6,9H,4-5,7-8,13H2
InChIKeyNLCNZJDDKNLZQG-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.60
Rot. Bonds4

About 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one

1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one (PubChem CID 82907447) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one
PubChem CID82907447
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one
SMILESNc1nnn(CCn2ccccc2=O)c1C1CC1
InChIInChI=1S/C12H15N5O/c13-12-11(9-4-5-9)17(15-14-12)8-7-16-6-2-1-3-10(16)18/h1-3,6,9H,4-5,7-8,13H2
InChIKeyNLCNZJDDKNLZQG-UHFFFAOYSA-N
XLogP0.60
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one (CID 82907447) is 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one is Nc1nnn(CCn2ccccc2=O)c1C1CC1.
What is the InChIKey of 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is NLCNZJDDKNLZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-12-11(9-4-5-9)17(15-14-12)8-7-16-6-2-1-3-10(16)18/h1-3,6,9H,4-5,7-8,13H2.
What are the key properties of 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one?
1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 245.29 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-amino-5-cyclopropyltriazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).