N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

C16H10Cl2N6 — CID 6539378

IUPACN-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESClc1cc(Cl)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C16H10Cl2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)
InChIKeyKIJWMPSSOUHQTQ-UHFFFAOYSA-N
MW357.20 g/mol
LogP4.24
Rot. Bonds3

About N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine

N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (PubChem CID 6539378) has the molecular formula C16H10Cl2N6 and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
PubChem CID6539378
Molecular FormulaC16H10Cl2N6
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC NameN-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
SMILESClc1cc(Cl)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1
InChIInChI=1S/C16H10Cl2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23)
InChIKeyKIJWMPSSOUHQTQ-UHFFFAOYSA-N
XLogP4.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine (CID 6539378) is N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is Clc1cc(Cl)cc(Nc2nccc(-c3cnn4ncccc34)n2)c1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
The InChIKey is KIJWMPSSOUHQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N6/c17-10-6-11(18)8-12(7-10)22-16-19-5-3-14(23-16)13-9-21-24-15(13)2-1-4-20-24/h1-9H,(H,19,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine?
N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine has a molecular weight of 357.20 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 6539378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).