ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate

C13H18N4O3 — CID 62012002

IUPACethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H18N4O3/c1-3-20-12(18)10-15(2)8-9-17-13(19)16-7-5-4-6-11(16)14-17/h4-7H,3,8-10H2,1-2H3
InChIKeyIECXDPWQRBVOAE-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.01
Rot. Bonds6

About ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate

ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate (PubChem CID 62012002) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
PubChem CID62012002
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
SMILESCCOC(=O)CN(C)CCn1nc2ccccn2c1=O
InChIInChI=1S/C13H18N4O3/c1-3-20-12(18)10-15(2)8-9-17-13(19)16-7-5-4-6-11(16)14-17/h4-7H,3,8-10H2,1-2H3
InChIKeyIECXDPWQRBVOAE-UHFFFAOYSA-N
XLogP-0.01
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115758501
2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
methyl 4-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)butanoate
CID 43378341
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78962136
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
CID 43132370
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoate
CID 166205268
2-[2-(N-ethyl-2,4-dimethylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55864831
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate (CID 62012002) is ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate is CCOC(=O)CN(C)CCn1nc2ccccn2c1=O.
What is the InChIKey of ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate?
The InChIKey is IECXDPWQRBVOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-20-12(18)10-15(2)8-9-17-13(19)16-7-5-4-6-11(16)14-17/h4-7H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate?
ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate has a molecular weight of 278.31 g/mol, XLogP of -0.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate is sourced from PubChem (CID 62012002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).