3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine

C13H10ClN5 — CID 122451665

IUPAC3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine
SMILESNc1ccc(Nc2nccc3c(Cl)cccc23)nn1
InChIInChI=1S/C13H10ClN5/c14-10-3-1-2-9-8(10)6-7-16-13(9)17-12-5-4-11(15)18-19-12/h1-7H,(H2,15,18)(H,16,17,19)
InChIKeySQEYRBDKRPVLKE-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.00
Rot. Bonds2

About 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine

3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine (PubChem CID 122451665) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine
PubChem CID122451665
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine
SMILESNc1ccc(Nc2nccc3c(Cl)cccc23)nn1
InChIInChI=1S/C13H10ClN5/c14-10-3-1-2-9-8(10)6-7-16-13(9)17-12-5-4-11(15)18-19-12/h1-7H,(H2,15,18)(H,16,17,19)
InChIKeySQEYRBDKRPVLKE-UHFFFAOYSA-N
XLogP3.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(5-methoxyisoquinolin-1-yl)pyridine-2,6-diamine
CID 122451767
5-chloro-N'-hydroxyisoquinoline-1-carboximidamide
CID 137085301
6-N-[5-(trifluoromethoxy)isoquinolin-1-yl]pyridine-2,6-diamine
CID 122443345
3-N-pyrimidin-4-ylpyridazine-3,6-diamine
CID 83618963
2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
4-N-isoquinolin-1-ylpyrimidine-4,6-diamine
CID 117086445
2-[(5-chloroisoquinoline-1-carbonyl)amino]acetic acid
CID 82571599
3-(5-chloroisoquinolin-1-yl)pyridine-2,5-diamine
CID 122443320
3-N-(2-methylpyrazol-3-yl)pyridazine-3,6-diamine
CID 83619070
5-methyl-N-(2-methylphenyl)isoquinolin-1-amine
CID 142656410
4-N-[2-(2,6-dichlorophenyl)-[1,3]thiazolo[5,4-c]pyridin-4-yl]pyrimidine-4,6-diamine
CID 66807105
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine?
The IUPAC name of 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine (CID 122451665) is 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine is Nc1ccc(Nc2nccc3c(Cl)cccc23)nn1.
What is the InChIKey of 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine?
The InChIKey is SQEYRBDKRPVLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-10-3-1-2-9-8(10)6-7-16-13(9)17-12-5-4-11(15)18-19-12/h1-7H,(H2,15,18)(H,16,17,19).
What are the key properties of 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine?
3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine has a molecular weight of 271.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloroisoquinolin-1-yl)pyridazine-3,6-diamine is sourced from PubChem (CID 122451665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).