6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

C9H5ClN4 — CID 152676816

IUPAC6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESClc1cc2cccnc2n2cnnc12
InChIInChI=1S/C9H5ClN4/c10-7-4-6-2-1-3-11-8(6)14-5-12-13-9(7)14/h1-5H
InChIKeyZMRPHISCHGGLLX-UHFFFAOYSA-N
MW204.62 g/mol
LogP1.93
Rot. Bonds

About 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine

6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (PubChem CID 152676816) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.

Molecular Properties

Compound Name6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
PubChem CID152676816
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
SMILESClc1cc2cccnc2n2cnnc12
InChIInChI=1S/C9H5ClN4/c10-7-4-6-2-1-3-11-8(6)14-5-12-13-9(7)14/h1-5H
InChIKeyZMRPHISCHGGLLX-UHFFFAOYSA-N
XLogP1.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 138112391
6-methylsulfanylpyrrolo[1,2-a][1,8]naphthyridine
CID 58517811
1-chloro-1,8-naphthyridin-2-one
CID 154368261
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
2-(2-chloropyrrolo[2,3-b]pyridin-1-yl)acetaldehyde
CID 117223862
7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 132531037
6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
8-oxa-3,4,6,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 140634101
5-chloro-8-(3-chloro-1,2,4-triazol-4-yl)quinoline
CID 116785568
5-chloro-8-(3,4-dichlorophenyl)-7-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 20816924
N-methyl-1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223887
4,7-dichloro-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475451

Frequently Asked Questions

What is the IUPAC name of 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The IUPAC name of 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine (CID 152676816) is 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine.
What is the SMILES notation for 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The canonical SMILES for 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is Clc1cc2cccnc2n2cnnc12.
What is the InChIKey of 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
The InChIKey is ZMRPHISCHGGLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-7-4-6-2-1-3-11-8(6)14-5-12-13-9(7)14/h1-5H.
What are the key properties of 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine?
6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine has a molecular weight of 204.62 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine is sourced from PubChem (CID 152676816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).