6-chloro-N-(4-methylpentyl)pyridazin-3-amine

C10H16ClN3 — CID 61039068

IUPAC6-chloro-N-(4-methylpentyl)pyridazin-3-amine
SMILESCC(C)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3/c1-8(2)4-3-7-12-10-6-5-9(11)13-14-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyJFRGHOODKCBCLS-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.98
Rot. Bonds5

About 6-chloro-N-(4-methylpentyl)pyridazin-3-amine

6-chloro-N-(4-methylpentyl)pyridazin-3-amine (PubChem CID 61039068) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 6-chloro-N-(4-methylpentyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-methylpentyl)pyridazin-3-amine
PubChem CID61039068
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name6-chloro-N-(4-methylpentyl)pyridazin-3-amine
SMILESCC(C)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C10H16ClN3/c1-8(2)4-3-7-12-10-6-5-9(11)13-14-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyJFRGHOODKCBCLS-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 559472
6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 115520523
6-chloro-N-(2,3-dimethylbutyl)pyridazin-3-amine
CID 64598579
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529
3-chloro-N-(4-methylpentyl)pyridin-4-amine
CID 79839670
N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770
6-chloro-N-octan-2-ylpyridazin-3-amine
CID 61479963
N'-(6-chloropyridazin-3-yl)-N-cyclopropylethane-1,2-diamine
CID 62663579
N-[1-(6-chloro-3-pyridinyl)ethyl]-4-methylpentan-1-amine
CID 115776708
4-[2-[(6-chloropyridazin-3-yl)amino]ethyl]phenol
CID 61236927

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methylpentyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(4-methylpentyl)pyridazin-3-amine (CID 61039068) is 6-chloro-N-(4-methylpentyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-methylpentyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(4-methylpentyl)pyridazin-3-amine is CC(C)CCCNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(4-methylpentyl)pyridazin-3-amine?
The InChIKey is JFRGHOODKCBCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-8(2)4-3-7-12-10-6-5-9(11)13-14-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 6-chloro-N-(4-methylpentyl)pyridazin-3-amine?
6-chloro-N-(4-methylpentyl)pyridazin-3-amine has a molecular weight of 213.71 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methylpentyl)pyridazin-3-amine is sourced from PubChem (CID 61039068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).