6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine

C10H14ClN3O2 — CID 114478239

IUPAC6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
SMILESCOC1(CNc2cnnc(Cl)c2)CCOC1
InChIInChI=1S/C10H14ClN3O2/c1-15-10(2-3-16-7-10)6-12-8-4-9(11)14-13-5-8/h4-5H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyDOXQWWGWMSRGEW-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.35
Rot. Bonds4

About 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine

6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine (PubChem CID 114478239) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
PubChem CID114478239
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine
SMILESCOC1(CNc2cnnc(Cl)c2)CCOC1
InChIInChI=1S/C10H14ClN3O2/c1-15-10(2-3-16-7-10)6-12-8-4-9(11)14-13-5-8/h4-5H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyDOXQWWGWMSRGEW-UHFFFAOYSA-N
XLogP1.35
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyrazin-2-amine
CID 104705608
N-[(3-methoxyoxolan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104762650
4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carbothioamide
CID 104761878
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-4,5-diamine
CID 104759022
5-chloro-2-hydrazinyl-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidin-4-amine
CID 104767567
3,5,6-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 114072689
5-chloro-2-[(3-methoxyoxolan-3-yl)methylamino]pyridine-4-carboxylic acid
CID 114919956
5-[(3-methoxyoxolan-3-yl)methylamino]pyrazine-2-carbothioamide
CID 104761862
6-hydrazinyl-4-N-[(3-methoxyoxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 104767560
2-ethoxy-4-N-[(3-methoxyoxolan-3-yl)methyl]benzene-1,4-diamine
CID 104759004
4-chloro-5-[(3-methoxyoxolan-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114441842

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine?
The IUPAC name of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine (CID 114478239) is 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine is COC1(CNc2cnnc(Cl)c2)CCOC1.
What is the InChIKey of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine?
The InChIKey is DOXQWWGWMSRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-15-10(2-3-16-7-10)6-12-8-4-9(11)14-13-5-8/h4-5H,2-3,6-7H2,1H3,(H,12,14).
What are the key properties of 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine?
6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine has a molecular weight of 243.69 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-methoxyoxolan-3-yl)methyl]pyridazin-4-amine is sourced from PubChem (CID 114478239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).