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

C13H19N5O — CID 82907369

IUPAC1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one
SMILESCC(C)(C)c1c(N)nnn1CCn1ccccc1=O
InChIInChI=1S/C13H19N5O/c1-13(2,3)11-12(14)15-16-18(11)9-8-17-7-5-4-6-10(17)19/h4-7H,8-9,14H2,1-3H3
InChIKeyCETLHKYMUDADDU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.02
Rot. Bonds3

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

1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one (PubChem CID 82907369) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one
PubChem CID82907369
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one
SMILESCC(C)(C)c1c(N)nnn1CCn1ccccc1=O
InChIInChI=1S/C13H19N5O/c1-13(2,3)11-12(14)15-16-18(11)9-8-17-7-5-4-6-10(17)19/h4-7H,8-9,14H2,1-3H3
InChIKeyCETLHKYMUDADDU-UHFFFAOYSA-N
XLogP1.02
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.02
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-tert-butyltriazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one (CID 82907369) is 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one is CC(C)(C)c1c(N)nnn1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is CETLHKYMUDADDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-13(2,3)11-12(14)15-16-18(11)9-8-17-7-5-4-6-10(17)19/h4-7H,8-9,14H2,1-3H3.
What are the key properties of 1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one?
1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.02, 3 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-tert-butyltriazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).