6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine

C8H12ClN3O — CID 29298750

IUPAC6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
SMILESCOC[C@H](C)Nc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-6(5-13-2)10-8-4-3-7(9)11-12-8/h3-4,6H,5H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyXRWGFCQKZMEVEA-LURJTMIESA-N
MW201.66 g/mol
LogP1.58
Rot. Bonds4

About 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine

6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine (PubChem CID 29298750) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
PubChem CID29298750
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
SMILESCOC[C@H](C)Nc1ccc(Cl)nn1
InChIInChI=1S/C8H12ClN3O/c1-6(5-13-2)10-8-4-3-7(9)11-12-8/h3-4,6H,5H2,1-2H3,(H,10,12)/t6-/m0/s1
InChIKeyXRWGFCQKZMEVEA-LURJTMIESA-N
XLogP1.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(2R)-1-methoxypropan-2-yl]pyridin-2-amine
CID 131065257
6-chloro-N-octan-2-ylpyridazin-3-amine
CID 61479963
6-(1-methoxypropan-2-ylamino)-N-phenylpyridazine-3-carboxamide
CID 133313240
6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine
CID 63838874
4-(2-chloro-4-pyridinyl)-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 86610350
6-(1-methoxypropan-2-ylamino)pyridine-3-carbothioamide
CID 24706067
6-chloro-N-(1-methoxypropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 112724489
6-chloro-N-(1-cyclopropylethyl)pyridazin-3-amine
CID 43401136
5-bromo-N-(1-methoxypropan-2-yl)-6-methylpyridin-2-amine
CID 103915071
6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine
CID 64598579
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
N-(1-methoxypropan-2-yl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133488159

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine?
The IUPAC name of 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine (CID 29298750) is 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine is COC[C@H](C)Nc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine?
The InChIKey is XRWGFCQKZMEVEA-LURJTMIESA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6(5-13-2)10-8-4-3-7(9)11-12-8/h3-4,6H,5H2,1-2H3,(H,10,12)/t6-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine?
6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine has a molecular weight of 201.66 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine is sourced from PubChem (CID 29298750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).