3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine

C13H10Cl2N2 — CID 169288678

IUPAC3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine
SMILESClc1cc([C@H]2C[C@@H]2c2ccccc2)c(Cl)nn1
InChIInChI=1S/C13H10Cl2N2/c14-12-7-11(13(15)17-16-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/t9-,10+/m1/s1
InChIKeyDJMRHLQSIQWHAZ-ZJUUUORDSA-N
MW265.14 g/mol
LogP4.05
Rot. Bonds2

About 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine

3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine (PubChem CID 169288678) has the molecular formula C13H10Cl2N2 and a molecular weight of 265.14 g/mol. Its IUPAC name is 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine
PubChem CID169288678
Molecular FormulaC13H10Cl2N2
Molecular Weight265.14 g/mol
Exact Mass264.02
IUPAC Name3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine
SMILESClc1cc([C@H]2C[C@@H]2c2ccccc2)c(Cl)nn1
InChIInChI=1S/C13H10Cl2N2/c14-12-7-11(13(15)17-16-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/t9-,10+/m1/s1
InChIKeyDJMRHLQSIQWHAZ-ZJUUUORDSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(2-phenylcyclopropyl)pyridin-2-amine
CID 116518244
3,6-dichloro-4-[(1S,2S)-2-ethylcyclopropyl]pyridazine
CID 166999762
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
5,6-dichloro-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 103977352
3-(2-phenylcyclopropyl)benzamide
CID 144684573
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
CID 101382283
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
5-chloro-2-(2-phenylcyclopropyl)-1,3-benzoxazol-6-amine
CID 115539806
(Z)-3-amino-2-[6-ethenyl-5-[(2S)-2-phenylcyclopropyl]pyridazin-3-yl]prop-2-enamide
CID 170014501
4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline
CID 20604133

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine (CID 169288678) is 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine is Clc1cc([C@H]2C[C@@H]2c2ccccc2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine?
The InChIKey is DJMRHLQSIQWHAZ-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H10Cl2N2/c14-12-7-11(13(15)17-16-12)10-6-9(10)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2/t9-,10+/m1/s1.
What are the key properties of 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine?
3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine has a molecular weight of 265.14 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine is sourced from PubChem (CID 169288678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).