1-(6-chloropyridazin-3-yl)benzotriazole

C10H6ClN5 — CID 43213118

IUPAC1-(6-chloropyridazin-3-yl)benzotriazole
SMILESClc1ccc(-n2nnc3ccccc32)nn1
InChIInChI=1S/C10H6ClN5/c11-9-5-6-10(14-13-9)16-8-4-2-1-3-7(8)12-15-16/h1-6H
InChIKeyWDOUXOMZNFCUEP-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.86
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)benzotriazole

1-(6-chloropyridazin-3-yl)benzotriazole (PubChem CID 43213118) has the molecular formula C10H6ClN5 and a molecular weight of 231.65 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)benzotriazole.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)benzotriazole
PubChem CID43213118
Molecular FormulaC10H6ClN5
Molecular Weight231.65 g/mol
Exact Mass231.03
IUPAC Name1-(6-chloropyridazin-3-yl)benzotriazole
SMILESClc1ccc(-n2nnc3ccccc32)nn1
InChIInChI=1S/C10H6ClN5/c11-9-5-6-10(14-13-9)16-8-4-2-1-3-7(8)12-15-16/h1-6H
InChIKeyWDOUXOMZNFCUEP-UHFFFAOYSA-N
XLogP1.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-2-pyridinyl)benzotriazole
CID 12588335
1-(6-chloropyrazin-2-yl)benzotriazole
CID 43260425
2-(benzotriazol-1-yl)-6-chloropyridin-3-amine
CID 113317011
1-[5-(chloromethyl)-2-pyridinyl]benzotriazole
CID 61257847
6-(benzotriazol-1-yl)pyridin-3-amine
CID 29082003
2-(benzotriazol-1-yl)quinoxaline
CID 11096911
tris(benzotriazol-1-yl)borane
CID 101187740
1-(3,5-dichloro-2-pyridinyl)benzotriazole
CID 4825894
1-[6-(3-chlorophenyl)pyrimidin-4-yl]benzotriazole
CID 59246705
2-(benzotriazol-1-yl)-6-propan-2-ylquinoline
CID 166442505
2-(benzotriazol-1-yl)-5-bromo-1,3,4-thiadiazole
CID 64623509
4-(benzotriazol-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62863325

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)benzotriazole?
The IUPAC name of 1-(6-chloropyridazin-3-yl)benzotriazole (CID 43213118) is 1-(6-chloropyridazin-3-yl)benzotriazole.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)benzotriazole?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)benzotriazole is Clc1ccc(-n2nnc3ccccc32)nn1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)benzotriazole?
The InChIKey is WDOUXOMZNFCUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5/c11-9-5-6-10(14-13-9)16-8-4-2-1-3-7(8)12-15-16/h1-6H.
What are the key properties of 1-(6-chloropyridazin-3-yl)benzotriazole?
1-(6-chloropyridazin-3-yl)benzotriazole has a molecular weight of 231.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)benzotriazole is sourced from PubChem (CID 43213118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).