N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine

C17H12Cl2N6 — CID 126475886

IUPACN-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(CNc2ccc3ncc(-c4cncnc4)n3n2)cc1Cl
InChIInChI=1S/C17H12Cl2N6/c18-13-2-1-11(5-14(13)19)6-22-16-3-4-17-23-9-15(25(17)24-16)12-7-20-10-21-8-12/h1-5,7-10H,6H2,(H,22,24)
InChIKeySSWYYKOSXJVUGS-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.11
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine

N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475886) has the molecular formula C17H12Cl2N6 and a molecular weight of 371.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID126475886
Molecular FormulaC17H12Cl2N6
Molecular Weight371.23 g/mol
Exact Mass370.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(CNc2ccc3ncc(-c4cncnc4)n3n2)cc1Cl
InChIInChI=1S/C17H12Cl2N6/c18-13-2-1-11(5-14(13)19)6-22-16-3-4-17-23-9-15(25(17)24-16)12-7-20-10-21-8-12/h1-5,7-10H,6H2,(H,22,24)
InChIKeySSWYYKOSXJVUGS-UHFFFAOYSA-N
XLogP4.11
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900201
6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 66940761
N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475848
N-[(3,4-dichlorophenyl)methyl]-3-piperidin-1-ylimidazo[1,2-b]pyridazin-6-amine
CID 66940952
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
4-[[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]carbamoyl]benzoic acid
CID 66940863
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 126471750
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine (CID 126475886) is N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine is Clc1ccc(CNc2ccc3ncc(-c4cncnc4)n3n2)cc1Cl.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is SSWYYKOSXJVUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6/c18-13-2-1-11(5-14(13)19)6-22-16-3-4-17-23-9-15(25(17)24-16)12-7-20-10-21-8-12/h1-5,7-10H,6H2,(H,22,24).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 371.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).