N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine

C19H28N4 — CID 14700611

IUPACN',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine
SMILESCCCc1cc(NCCN(CC)CC)nnc1-c1ccccc1
InChIInChI=1S/C19H28N4/c1-4-10-17-15-18(20-13-14-23(5-2)6-3)21-22-19(17)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,20,21)
InChIKeyHIPAGVKFQGTNMR-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.85
Rot. Bonds9

About N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine

N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine (PubChem CID 14700611) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine
PubChem CID14700611
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC NameN',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine
SMILESCCCc1cc(NCCN(CC)CC)nnc1-c1ccccc1
InChIInChI=1S/C19H28N4/c1-4-10-17-15-18(20-13-14-23(5-2)6-3)21-22-19(17)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,20,21)
InChIKeyHIPAGVKFQGTNMR-UHFFFAOYSA-N
XLogP3.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine (CID 14700611) is N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine is CCCc1cc(NCCN(CC)CC)nnc1-c1ccccc1.
What is the InChIKey of N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine?
The InChIKey is HIPAGVKFQGTNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-10-17-15-18(20-13-14-23(5-2)6-3)21-22-19(17)16-11-8-7-9-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,20,21).
What are the key properties of N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine has a molecular weight of 312.46 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-phenyl-5-propylpyridazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 14700611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).