5,6-dichloro-1-propan-2-ylbenzotriazole

C9H9Cl2N3 — CID 178059021

IUPAC5,6-dichloro-1-propan-2-ylbenzotriazole
SMILESCC(C)n1nnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H9Cl2N3/c1-5(2)14-9-4-7(11)6(10)3-8(9)12-13-14/h3-5H,1-2H3
InChIKeyNBXJPJRVWCICDT-UHFFFAOYSA-N
MW230.10 g/mol
LogP3.32
Rot. Bonds1

About 5,6-dichloro-1-propan-2-ylbenzotriazole

5,6-dichloro-1-propan-2-ylbenzotriazole (PubChem CID 178059021) has the molecular formula C9H9Cl2N3 and a molecular weight of 230.10 g/mol. Its IUPAC name is 5,6-dichloro-1-propan-2-ylbenzotriazole.

Molecular Properties

Compound Name5,6-dichloro-1-propan-2-ylbenzotriazole
PubChem CID178059021
Molecular FormulaC9H9Cl2N3
Molecular Weight230.10 g/mol
Exact Mass229.02
IUPAC Name5,6-dichloro-1-propan-2-ylbenzotriazole
SMILESCC(C)n1nnc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C9H9Cl2N3/c1-5(2)14-9-4-7(11)6(10)3-8(9)12-13-14/h3-5H,1-2H3
InChIKeyNBXJPJRVWCICDT-UHFFFAOYSA-N
XLogP3.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,6-dimethyl-1-propan-2-ylbenzotriazole
CID 59167826
6-isocyano-1-propan-2-ylbenzotriazole
CID 140846011
6,7-dichloro-1-propan-2-ylbenzotriazole
CID 70442733
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051638
2-(1-propan-2-ylbenzotriazol-5-yl)acetaldehyde
CID 83881427
(2S)-1-(5,6-dichlorobenzotriazol-1-yl)butan-2-ol
CID 99703259
7-deuterio-1-propan-2-ylbenzotriazole
CID 10374745
2-(5,6-dichlorobenzotriazol-1-yl)ethanol
CID 82147134
1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid
CID 117099459
4-(3-propan-2-ylbenzotriazol-5-yl)morpholine
CID 178059257
N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051587
5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole
CID 156521857

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-propan-2-ylbenzotriazole?
The IUPAC name of 5,6-dichloro-1-propan-2-ylbenzotriazole (CID 178059021) is 5,6-dichloro-1-propan-2-ylbenzotriazole.
What is the SMILES notation for 5,6-dichloro-1-propan-2-ylbenzotriazole?
The canonical SMILES for 5,6-dichloro-1-propan-2-ylbenzotriazole is CC(C)n1nnc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 5,6-dichloro-1-propan-2-ylbenzotriazole?
The InChIKey is NBXJPJRVWCICDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3/c1-5(2)14-9-4-7(11)6(10)3-8(9)12-13-14/h3-5H,1-2H3.
What are the key properties of 5,6-dichloro-1-propan-2-ylbenzotriazole?
5,6-dichloro-1-propan-2-ylbenzotriazole has a molecular weight of 230.10 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-propan-2-ylbenzotriazole is sourced from PubChem (CID 178059021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).