N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine

C9H14ClN3O — CID 106153817

IUPACN-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
SMILESCOCC(CCCl)Nc1cccnn1
InChIInChI=1S/C9H14ClN3O/c1-14-7-8(4-5-10)12-9-3-2-6-11-13-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13)
InChIKeyBIQUHLBLAUOZPV-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.53
Rot. Bonds6

About N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine

N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine (PubChem CID 106153817) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
PubChem CID106153817
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
SMILESCOCC(CCCl)Nc1cccnn1
InChIInChI=1S/C9H14ClN3O/c1-14-7-8(4-5-10)12-9-3-2-6-11-13-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13)
InChIKeyBIQUHLBLAUOZPV-UHFFFAOYSA-N
XLogP1.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-3-ylpyridazin-3-amine
CID 62482228
N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
CID 106154134
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
N-(4-chloro-1-methoxybutan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 106153854
N-(4-chloro-1-methoxybutan-2-yl)-3-methylsulfonylpyridin-2-amine
CID 114150906
N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
CID 106154077
N-(4-chloro-1-methoxybutan-2-yl)-1H-benzimidazol-2-amine
CID 106153820
3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine
CID 106154086
3-[(4-chloro-1-methoxybutan-2-yl)amino]-1H-pyrazin-2-one
CID 106154188
N-(1-ethoxypropan-2-yl)pyridazin-3-amine
CID 62483257
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)isoquinolin-1-amine
CID 106153795

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine?
The IUPAC name of N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine (CID 106153817) is N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine?
The canonical SMILES for N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine is COCC(CCCl)Nc1cccnn1.
What is the InChIKey of N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine?
The InChIKey is BIQUHLBLAUOZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-14-7-8(4-5-10)12-9-3-2-6-11-13-9/h2-3,6,8H,4-5,7H2,1H3,(H,12,13).
What are the key properties of N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine?
N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine has a molecular weight of 215.68 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 106153817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).