ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate

C13H18N4O3 — CID 110455631

IUPACethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2cccc(OC(C)(C)C)n2n1
InChIInChI=1S/C13H18N4O3/c1-5-19-12(18)15-11-14-9-7-6-8-10(17(9)16-11)20-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16,18)
InChIKeyRTAZYQZKBYSBRP-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.47
Rot. Bonds3

About ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate

ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (PubChem CID 110455631) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
PubChem CID110455631
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2cccc(OC(C)(C)C)n2n1
InChIInChI=1S/C13H18N4O3/c1-5-19-12(18)15-11-14-9-7-6-8-10(17(9)16-11)20-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16,18)
InChIKeyRTAZYQZKBYSBRP-UHFFFAOYSA-N
XLogP2.47
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The IUPAC name of ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate (CID 110455631) is ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is CCOC(=O)Nc1nc2cccc(OC(C)(C)C)n2n1.
What is the InChIKey of ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
The InChIKey is RTAZYQZKBYSBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-5-19-12(18)15-11-14-9-7-6-8-10(17(9)16-11)20-13(2,3)4/h6-8H,5H2,1-4H3,(H,15,16,18).
What are the key properties of ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate?
ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate has a molecular weight of 278.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(2-methylpropan-2-yl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamate is sourced from PubChem (CID 110455631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).