5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one

C14H21N5O — CID 103398925

IUPAC5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2cn(C(C)(C)C)nn2)ccc1=O
InChIInChI=1S/C14H21N5O/c1-5-18-9-11(6-7-13(18)20)15-8-12-10-19(17-16-12)14(2,3)4/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyUCZWFNQHCPXFLK-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.83
Rot. Bonds4

About 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one

5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one (PubChem CID 103398925) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one
PubChem CID103398925
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one
SMILESCCn1cc(NCc2cn(C(C)(C)C)nn2)ccc1=O
InChIInChI=1S/C14H21N5O/c1-5-18-9-11(6-7-13(18)20)15-8-12-10-19(17-16-12)14(2,3)4/h6-7,9-10,15H,5,8H2,1-4H3
InChIKeyUCZWFNQHCPXFLK-UHFFFAOYSA-N
XLogP1.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-5-[(1-methyltriazol-4-yl)methylamino]pyridin-2-one
CID 62755967
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoroaniline
CID 103398542
N-[(1-tert-butyltriazol-4-yl)methyl]-4-iodoaniline
CID 103398664
1-ethyl-5-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyridin-2-one
CID 54863936
1-ethyl-5-[(4-ethylphenyl)methylamino]pyridin-2-one
CID 54864000
5-[(2,6-difluorophenyl)methylamino]-1-ethylpyridin-2-one
CID 54864001
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
1-ethyl-5-(pentylamino)pyridin-2-one
CID 60942788
1-ethyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 54864112
N-[(1-tert-butyltriazol-4-yl)methyl]-4-fluoro-3-nitroaniline
CID 103398802
N-[(1-tert-butyltriazol-4-yl)methyl]-4-methoxy-3-methylaniline
CID 103398997
N-[(1-tert-butyltriazol-4-yl)methyl]hydroxylamine
CID 103399314

Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one?
The IUPAC name of 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one (CID 103398925) is 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one.
What is the SMILES notation for 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one?
The canonical SMILES for 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one is CCn1cc(NCc2cn(C(C)(C)C)nn2)ccc1=O.
What is the InChIKey of 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one?
The InChIKey is UCZWFNQHCPXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-18-9-11(6-7-13(18)20)15-8-12-10-19(17-16-12)14(2,3)4/h6-7,9-10,15H,5,8H2,1-4H3.
What are the key properties of 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one?
5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one has a molecular weight of 275.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butyltriazol-4-yl)methylamino]-1-ethylpyridin-2-one is sourced from PubChem (CID 103398925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).