5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one

C11H15N5O — CID 61346519

IUPAC5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one
SMILESCc1nc(C)n(CCn2cc(N)ccc2=O)n1
InChIInChI=1S/C11H15N5O/c1-8-13-9(2)16(14-8)6-5-15-7-10(12)3-4-11(15)17/h3-4,7H,5-6,12H2,1-2H3
InChIKeyFHTPAZFQVTVXLL-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.34
Rot. Bonds3

About 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one

5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one (PubChem CID 61346519) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one
PubChem CID61346519
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one
SMILESCc1nc(C)n(CCn2cc(N)ccc2=O)n1
InChIInChI=1S/C11H15N5O/c1-8-13-9(2)16(14-8)6-5-15-7-10(12)3-4-11(15)17/h3-4,7H,5-6,12H2,1-2H3
InChIKeyFHTPAZFQVTVXLL-UHFFFAOYSA-N
XLogP0.34
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]-3-(trifluoromethyl)pyridin-2(1H)-one
CID 72862897
5-(dimethylamino)-2-[(1,3-dimethyl-1H-1,2,4-triazol-5-yl)methyl]pyridazin-3(2H)-one
CID 72924900
1-{2-[3-methyl-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]ethyl}pyridin-2(1H)-one
CID 72875534
1-[(4-Ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-fluoropyridin-2-one
CID 99831478
2-[5-[2-(6-methyl-2-oxopyridin-1(2H)-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 131893259
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 136569675
5-Fluoro-3-iodo-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-2-one
CID 137989291
N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 171679297
5-(3,5-dimethyl-1,2,4-triazol-4-yl)-1H-pyridin-2-one
CID 90251202
2-[1-butyl-5-(6-oxo-1,6-dihydropyridin-2-yl)-1H-1,2,4-triazol-3-yl]acetamide
CID 131911881
3-(3-propan-2-yl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934654
4-(3-methyl-1,2,4-triazol-1-yl)-1H-pyridin-2-one
CID 168934704

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one (CID 61346519) is 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one is Cc1nc(C)n(CCn2cc(N)ccc2=O)n1.
What is the InChIKey of 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is FHTPAZFQVTVXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-13-9(2)16(14-8)6-5-15-7-10(12)3-4-11(15)17/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one?
5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 233.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 61346519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).