1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

C19H27ClN4 — CID 23187467

IUPAC1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)CNc1cc(C)c(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H27ClN4/c1-6-24(7-2)19(4,5)13-21-17-12-14(3)18(23-22-17)15-8-10-16(20)11-9-15/h8-12H,6-7,13H2,1-5H3,(H,21,22)
InChIKeyFSMYQFIQTGWPKR-UHFFFAOYSA-N
MW346.91 g/mol
LogP4.64
Rot. Bonds7

About 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine

1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 23187467) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID23187467
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC Name1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCN(CC)C(C)(C)CNc1cc(C)c(-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C19H27ClN4/c1-6-24(7-2)19(4,5)13-21-17-12-14(3)18(23-22-17)15-8-10-16(20)11-9-15/h8-12H,6-7,13H2,1-5H3,(H,21,22)
InChIKeyFSMYQFIQTGWPKR-UHFFFAOYSA-N
XLogP4.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 23187467) is 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCN(CC)C(C)(C)CNc1cc(C)c(-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is FSMYQFIQTGWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4/c1-6-24(7-2)19(4,5)13-21-17-12-14(3)18(23-22-17)15-8-10-16(20)11-9-15/h8-12H,6-7,13H2,1-5H3,(H,21,22).
What are the key properties of 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 346.91 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[6-(4-chlorophenyl)-5-methylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 23187467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).