3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol

C9H9Cl2N3O — CID 83968869

IUPAC3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol
SMILESOCCCn1nc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C9H9Cl2N3O/c10-6-4-8-9(5-7(6)11)13-14(12-8)2-1-3-15/h4-5,15H,1-3H2
InChIKeyKXXMXXWVCAUHFM-UHFFFAOYSA-N
MW246.10 g/mol
LogP2.12
Rot. Bonds3

About 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol

3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol (PubChem CID 83968869) has the molecular formula C9H9Cl2N3O and a molecular weight of 246.10 g/mol. Its IUPAC name is 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol
PubChem CID83968869
Molecular FormulaC9H9Cl2N3O
Molecular Weight246.10 g/mol
Exact Mass245.01
IUPAC Name3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol
SMILESOCCCn1nc2cc(Cl)c(Cl)cc2n1
InChIInChI=1S/C9H9Cl2N3O/c10-6-4-8-9(5-7(6)11)13-14(12-8)2-1-3-15/h4-5,15H,1-3H2
InChIKeyKXXMXXWVCAUHFM-UHFFFAOYSA-N
XLogP2.12
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-([1,3]dioxolo[4,5-f]benzotriazol-2-yl)propan-1-ol
CID 83968850
2-[2-(3-hydroxypropyl)benzotriazol-5-yl]acetic acid
CID 83968766
2-(5-methylbenzotriazol-2-yl)ethanol
CID 83968941
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propan-1-ol
CID 82149518
2-[5,6-dichloro-2-(3-fluorophenyl)benzimidazol-1-yl]ethanol
CID 82149458
2-(5,6-dichlorobenzotriazol-1-yl)ethanol
CID 82147134
3-(5,6-difluorobenzimidazol-1-yl)propan-1-ol
CID 110892023
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 94755758
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
3-(4-chloro-3-cyclopropylpyrazol-1-yl)propan-1-ol
CID 19621845
3-[5-(3-iodophenyl)tetrazol-2-yl]propan-1-ol
CID 68945267
3-(5-aminobenzimidazol-1-yl)propan-1-ol
CID 6504205

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol?
The IUPAC name of 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol (CID 83968869) is 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol is OCCCn1nc2cc(Cl)c(Cl)cc2n1.
What is the InChIKey of 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol?
The InChIKey is KXXMXXWVCAUHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N3O/c10-6-4-8-9(5-7(6)11)13-14(12-8)2-1-3-15/h4-5,15H,1-3H2.
What are the key properties of 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol?
3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol has a molecular weight of 246.10 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichlorobenzotriazol-2-yl)propan-1-ol is sourced from PubChem (CID 83968869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).