(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid

C8H8ClN5O2 — CID 57371806

IUPAC(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc2n[nH]nc2c(Cl)n1
InChIInChI=1S/C8H8ClN5O2/c1-2-14(8(15)16)5-3-4-6(7(9)10-5)12-13-11-4/h3H,2H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyUIIIWYGCHJBGSJ-UHFFFAOYSA-N
MW241.64 g/mol
LogP1.51
Rot. Bonds2

About (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid

(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid (PubChem CID 57371806) has the molecular formula C8H8ClN5O2 and a molecular weight of 241.64 g/mol. Its IUPAC name is (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid.

Molecular Properties

Compound Name(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid
PubChem CID57371806
Molecular FormulaC8H8ClN5O2
Molecular Weight241.64 g/mol
Exact Mass241.04
IUPAC Name(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid
SMILESCCN(C(=O)O)c1cc2n[nH]nc2c(Cl)n1
InChIInChI=1S/C8H8ClN5O2/c1-2-14(8(15)16)5-3-4-6(7(9)10-5)12-13-11-4/h3H,2H2,1H3,(H,15,16)(H,11,12,13)
InChIKeyUIIIWYGCHJBGSJ-UHFFFAOYSA-N
XLogP1.51
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid?
The IUPAC name of (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid (CID 57371806) is (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid.
What is the SMILES notation for (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid?
The canonical SMILES for (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid is CCN(C(=O)O)c1cc2n[nH]nc2c(Cl)n1.
What is the InChIKey of (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid?
The InChIKey is UIIIWYGCHJBGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2/c1-2-14(8(15)16)5-3-4-6(7(9)10-5)12-13-11-4/h3H,2H2,1H3,(H,15,16)(H,11,12,13).
What are the key properties of (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid?
(4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid has a molecular weight of 241.64 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2H-triazolo[4,5-c]pyridin-6-yl)-ethylcarbamic acid is sourced from PubChem (CID 57371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).