ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate

C8H8ClN5O2 — CID 6413777

IUPACethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c2n[nH]nc2n1
InChIInChI=1S/C8H8ClN5O2/c1-2-16-8(15)11-5-3-4(9)6-7(10-5)13-14-12-6/h3H,2H2,1H3,(H2,10,11,12,13,14,15)
InChIKeyNENONIMBTOPDRF-UHFFFAOYSA-N
MW241.64 g/mol
LogP1.57
Rot. Bonds2

About ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate

ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate (PubChem CID 6413777) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate
PubChem CID6413777
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Nameethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate
SMILESCCOC(=O)Nc1cc(Cl)c2n[nH]nc2n1
InChIInChI=1S/C8H8ClN5O2/c1-2-16-8(15)11-5-3-4(9)6-7(10-5)13-14-12-6/h3H,2H2,1H3,(H2,10,11,12,13,14,15)
InChIKeyNENONIMBTOPDRF-UHFFFAOYSA-N
XLogP1.57
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate?
The IUPAC name of ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate (CID 6413777) is ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate.
What is the SMILES notation for ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate?
The canonical SMILES for ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate is CCOC(=O)Nc1cc(Cl)c2n[nH]nc2n1.
What is the InChIKey of ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate?
The InChIKey is NENONIMBTOPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2/c1-2-16-8(15)11-5-3-4(9)6-7(10-5)13-14-12-6/h3H,2H2,1H3,(H2,10,11,12,13,14,15).
What are the key properties of ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate?
ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate has a molecular weight of 241.64 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(7-chloro-2H-triazolo[4,5-b]pyridin-5-yl)carbamate is sourced from PubChem (CID 6413777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).