6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine

C13H9Cl2N5 — CID 157032580

IUPAC6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
SMILESClc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ncnc23)nc1
InChIInChI=1S/C13H9Cl2N5/c14-7-1-2-11(16-5-7)9-3-8(9)10-4-12(15)19-20-13(10)17-6-18-20/h1-2,4-6,8-9H,3H2/t8-,9-/m0/s1
InChIKeyOOWCDIWEAUTPKB-IUCAKERBSA-N
MW306.16 g/mol
LogP3.10
Rot. Bonds2

About 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine

6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 157032580) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID157032580
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine
SMILESClc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ncnc23)nc1
InChIInChI=1S/C13H9Cl2N5/c14-7-1-2-11(16-5-7)9-3-8(9)10-4-12(15)19-20-13(10)17-6-18-20/h1-2,4-6,8-9H,3H2/t8-,9-/m0/s1
InChIKeyOOWCDIWEAUTPKB-IUCAKERBSA-N
XLogP3.10
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine (CID 157032580) is 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine is Clc1ccc([C@H]2C[C@@H]2c2cc(Cl)nn3ncnc23)nc1.
What is the InChIKey of 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is OOWCDIWEAUTPKB-IUCAKERBSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-7-1-2-11(16-5-7)9-3-8(9)10-4-12(15)19-20-13(10)17-6-18-20/h1-2,4-6,8-9H,3H2/t8-,9-/m0/s1.
What are the key properties of 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine?
6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 306.16 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[(1S,2S)-2-(5-chloro-2-pyridinyl)cyclopropyl]-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 157032580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).