6-chloro-N-octan-2-ylpyridazin-3-amine

C12H20ClN3 — CID 61479963

IUPAC6-chloro-N-octan-2-ylpyridazin-3-amine
SMILESCCCCCCC(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H20ClN3/c1-3-4-5-6-7-10(2)14-12-9-8-11(13)15-16-12/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyGKZNFJUSZRFDAD-UHFFFAOYSA-N
MW241.77 g/mol
LogP3.90
Rot. Bonds7

About 6-chloro-N-octan-2-ylpyridazin-3-amine

6-chloro-N-octan-2-ylpyridazin-3-amine (PubChem CID 61479963) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 6-chloro-N-octan-2-ylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-octan-2-ylpyridazin-3-amine
PubChem CID61479963
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name6-chloro-N-octan-2-ylpyridazin-3-amine
SMILESCCCCCCC(C)Nc1ccc(Cl)nn1
InChIInChI=1S/C12H20ClN3/c1-3-4-5-6-7-10(2)14-12-9-8-11(13)15-16-12/h8-10H,3-7H2,1-2H3,(H,14,16)
InChIKeyGKZNFJUSZRFDAD-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 53.90
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

N-octan-2-ylpyridazin-3-amine
CID 62481019
6-chloro-N-[(2S)-1-methoxypropan-2-yl]pyridazin-3-amine
CID 29298750
6-chloro-4-N-octan-2-ylpyrimidine-2,4-diamine
CID 78971534
6-chloro-N-(3-ethylpentan-2-yl)pyridazin-3-amine
CID 63838874
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
2-N-(6-chloropyridazin-3-yl)pentane-1,2-diamine
CID 65192529
2,6-dichloro-N-octan-2-ylaniline
CID 65469716
6-chloro-N-heptan-2-yl-2-propylpyrimidin-4-amine
CID 80940743
6-methyl-N-pentan-2-ylpyridazin-3-amine
CID 61313507
6-N-octan-2-ylpyridine-2,6-diamine
CID 80648074
3,5-dichloro-N-nonan-2-ylaniline
CID 55199203
6-chloro-N-(4-methylpentyl)pyridazin-3-amine
CID 61039068

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-octan-2-ylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-octan-2-ylpyridazin-3-amine (CID 61479963) is 6-chloro-N-octan-2-ylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-octan-2-ylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-octan-2-ylpyridazin-3-amine is CCCCCCC(C)Nc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-octan-2-ylpyridazin-3-amine?
The InChIKey is GKZNFJUSZRFDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-3-4-5-6-7-10(2)14-12-9-8-11(13)15-16-12/h8-10H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 6-chloro-N-octan-2-ylpyridazin-3-amine?
6-chloro-N-octan-2-ylpyridazin-3-amine has a molecular weight of 241.77 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-octan-2-ylpyridazin-3-amine is sourced from PubChem (CID 61479963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).