6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine

C12H15ClN4O — CID 114180765

IUPAC6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCCc1cnc(CNc2nnc(Cl)c(C)c2C)o1
InChIInChI=1S/C12H15ClN4O/c1-4-9-5-14-10(18-9)6-15-12-8(3)7(2)11(13)16-17-12/h5H,4,6H2,1-3H3,(H,15,17)
InChIKeyFJOSPYVVPSRZIW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.91
Rot. Bonds4

About 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine

6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine (PubChem CID 114180765) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
PubChem CID114180765
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine
SMILESCCc1cnc(CNc2nnc(Cl)c(C)c2C)o1
InChIInChI=1S/C12H15ClN4O/c1-4-9-5-14-10(18-9)6-15-12-8(3)7(2)11(13)16-17-12/h5H,4,6H2,1-3H3,(H,15,17)
InChIKeyFJOSPYVVPSRZIW-UHFFFAOYSA-N
XLogP2.91
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,5-diamine
CID 106369356
2-chloro-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methylpyrimidine-4,5-diamine
CID 106369366
3,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 106378952
6-chloro-N-[(4-ethylphenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 106900542
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 65184221
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]phthalazin-1-amine
CID 106373414
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
4-chloro-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-1,3-thiazole-5-carbonitrile
CID 106373504
N-benzyl-6-chloro-4,5-dimethylpyridazin-3-amine
CID 63271969

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine (CID 114180765) is 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine is CCc1cnc(CNc2nnc(Cl)c(C)c2C)o1.
What is the InChIKey of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine?
The InChIKey is FJOSPYVVPSRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-4-9-5-14-10(18-9)6-15-12-8(3)7(2)11(13)16-17-12/h5H,4,6H2,1-3H3,(H,15,17).
What are the key properties of 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine?
6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine has a molecular weight of 266.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 114180765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).