3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine

C11H17Cl2N3O — CID 114137195

IUPAC3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine
SMILESCC(C)OCCCCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C11H17Cl2N3O/c1-8(2)17-6-4-3-5-14-9-7-10(12)15-16-11(9)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyBZHHUTIWDCNGGY-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.40
Rot. Bonds7

About 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine

3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine (PubChem CID 114137195) has the molecular formula C11H17Cl2N3O and a molecular weight of 278.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine
PubChem CID114137195
Molecular FormulaC11H17Cl2N3O
Molecular Weight278.18 g/mol
Exact Mass277.07
IUPAC Name3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine
SMILESCC(C)OCCCCNc1cc(Cl)nnc1Cl
InChIInChI=1S/C11H17Cl2N3O/c1-8(2)17-6-4-3-5-14-9-7-10(12)15-16-11(9)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyBZHHUTIWDCNGGY-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-fluoro-2-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106006982
5-chloro-2-(4-propan-2-yloxybutylamino)benzenecarbothioamide
CID 106010192
6-chloro-2-propan-2-yl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 114137332
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 114136517
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
4-bromo-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106006879
6-chloro-5-ethyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106013674
5-methyl-N-(4-propan-2-yloxybutyl)pyridazin-3-amine
CID 106012460
6-amino-7-(4-propan-2-yloxybutylamino)-3H-quinazolin-4-one
CID 136690649
4-chloro-6-ethyl-N-(3-propan-2-yloxypropyl)pyrimidin-2-amine
CID 82460947
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
2-chloro-N-(4-propan-2-yloxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106013798

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine (CID 114137195) is 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine is CC(C)OCCCCNc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine?
The InChIKey is BZHHUTIWDCNGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl2N3O/c1-8(2)17-6-4-3-5-14-9-7-10(12)15-16-11(9)13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine?
3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine has a molecular weight of 278.18 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-propan-2-yloxybutyl)pyridazin-4-amine is sourced from PubChem (CID 114137195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).