6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine

C10H16ClN3O — CID 102699930

IUPAC6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine
SMILESCOC(C)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C10H16ClN3O/c1-6(15-4)5-12-10-8(3)7(2)9(11)13-14-10/h6H,5H2,1-4H3,(H,12,14)
InChIKeyYRWQPOKORQFCFJ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.19
Rot. Bonds4

About 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine (PubChem CID 102699930) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine
PubChem CID102699930
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine
SMILESCOC(C)CNc1nnc(Cl)c(C)c1C
InChIInChI=1S/C10H16ClN3O/c1-6(15-4)5-12-10-8(3)7(2)9(11)13-14-10/h6H,5H2,1-4H3,(H,12,14)
InChIKeyYRWQPOKORQFCFJ-UHFFFAOYSA-N
XLogP2.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine (CID 102699930) is 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine is COC(C)CNc1nnc(Cl)c(C)c1C.
What is the InChIKey of 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is YRWQPOKORQFCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6(15-4)5-12-10-8(3)7(2)9(11)13-14-10/h6H,5H2,1-4H3,(H,12,14).
What are the key properties of 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 229.71 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-methoxypropyl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 102699930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).