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

C21H31ClN4 — CID 23187468

IUPAC1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H31ClN4/c1-6-9-17-14-19(23-15-21(4,5)26(7-2)8-3)24-25-20(17)16-10-12-18(22)13-11-16/h10-14H,6-9,15H2,1-5H3,(H,23,24)
InChIKeyUECNZSUXISRJCX-UHFFFAOYSA-N
MW374.96 g/mol
LogP5.28
Rot. Bonds9

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

1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (PubChem CID 23187468) has the molecular formula C21H31ClN4 and a molecular weight of 374.96 g/mol. Its IUPAC name is 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
PubChem CID23187468
Molecular FormulaC21H31ClN4
Molecular Weight374.96 g/mol
Exact Mass374.22
IUPAC Name1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
SMILESCCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C21H31ClN4/c1-6-9-17-14-19(23-15-21(4,5)26(7-2)8-3)24-25-20(17)16-10-12-18(22)13-11-16/h10-14H,6-9,15H2,1-5H3,(H,23,24)
InChIKeyUECNZSUXISRJCX-UHFFFAOYSA-N
XLogP5.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.96
LogP ≤ 55.28
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-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine (CID 23187468) is 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
The InChIKey is UECNZSUXISRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4/c1-6-9-17-14-19(23-15-21(4,5)26(7-2)8-3)24-25-20(17)16-10-12-18(22)13-11-16/h10-14H,6-9,15H2,1-5H3,(H,23,24).
What are the key properties of 1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine?
1-N-[6-(4-chlorophenyl)-5-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine has a molecular weight of 374.96 g/mol, XLogP of 5.28, 9 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-propylpyridazin-3-yl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine is sourced from PubChem (CID 23187468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).