ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate

C14H18N4O2S — CID 110455841

IUPACethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2n(n1)C(C)C(c1cccs1)CC2
InChIInChI=1S/C14H18N4O2S/c1-3-20-14(19)16-13-15-12-7-6-10(9(2)18(12)17-13)11-5-4-8-21-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,17,19)
InChIKeyYRJOJAATXYEQCC-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.20
Rot. Bonds3

About ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate

ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate (PubChem CID 110455841) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
PubChem CID110455841
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Nameethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate
SMILESCCOC(=O)Nc1nc2n(n1)C(C)C(c1cccs1)CC2
InChIInChI=1S/C14H18N4O2S/c1-3-20-14(19)16-13-15-12-7-6-10(9(2)18(12)17-13)11-5-4-8-21-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,17,19)
InChIKeyYRJOJAATXYEQCC-UHFFFAOYSA-N
XLogP3.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
The IUPAC name of ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate (CID 110455841) is ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate.
What is the SMILES notation for ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
The canonical SMILES for ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate is CCOC(=O)Nc1nc2n(n1)C(C)C(c1cccs1)CC2.
What is the InChIKey of ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
The InChIKey is YRJOJAATXYEQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-20-14(19)16-13-15-12-7-6-10(9(2)18(12)17-13)11-5-4-8-21-11/h4-5,8-10H,3,6-7H2,1-2H3,(H,16,17,19).
What are the key properties of ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate?
ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate has a molecular weight of 306.39 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-methyl-6-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)carbamate is sourced from PubChem (CID 110455841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).