3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine

C10H10Cl2N4O — CID 106374028

IUPAC3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
SMILESCc1nc(CNc2cc(Cl)nnc2Cl)oc1C
InChIInChI=1S/C10H10Cl2N4O/c1-5-6(2)17-9(14-5)4-13-7-3-8(11)15-16-10(7)12/h3H,4H2,1-2H3,(H,13,15)
InChIKeyXIZCEZUGYIRQPZ-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.00
Rot. Bonds3

About 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine

3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine (PubChem CID 106374028) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
PubChem CID106374028
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
SMILESCc1nc(CNc2cc(Cl)nnc2Cl)oc1C
InChIInChI=1S/C10H10Cl2N4O/c1-5-6(2)17-9(14-5)4-13-7-3-8(11)15-16-10(7)12/h3H,4H2,1-2H3,(H,13,15)
InChIKeyXIZCEZUGYIRQPZ-UHFFFAOYSA-N
XLogP3.00
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 55132827
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 106372577
7-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]quinolin-4-amine
CID 106374323
6-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrazin-2-amine
CID 107268510
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-iodobenzene-1,4-diamine
CID 106369876
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-5-methoxybenzene-1,2-diamine
CID 106369939
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methylbenzene-1,2-diamine
CID 106369950
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
CID 54882236
6-chloro-2-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 114181130
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carbothioamide
CID 106372601
4-amino-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzonitrile
CID 106369993
1-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106369923

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine (CID 106374028) is 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine is Cc1nc(CNc2cc(Cl)nnc2Cl)oc1C.
What is the InChIKey of 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine?
The InChIKey is XIZCEZUGYIRQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c1-5-6(2)17-9(14-5)4-13-7-3-8(11)15-16-10(7)12/h3H,4H2,1-2H3,(H,13,15).
What are the key properties of 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine?
3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine has a molecular weight of 273.12 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine is sourced from PubChem (CID 106374028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).