2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine

C15H20N4 — CID 116970880

IUPAC2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine
SMILESCC(C)(CN)CNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H20N4/c1-15(2,10-16)11-17-14-9-8-13(18-19-14)12-6-4-3-5-7-12/h3-9H,10-11,16H2,1-2H3,(H,17,19)
InChIKeySZMIAXGTLYORQD-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.54
Rot. Bonds5

About 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine

2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 116970880) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine
PubChem CID116970880
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine
SMILESCC(C)(CN)CNc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H20N4/c1-15(2,10-16)11-17-14-9-8-13(18-19-14)12-6-4-3-5-7-12/h3-9H,10-11,16H2,1-2H3,(H,17,19)
InChIKeySZMIAXGTLYORQD-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N'-(5-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 116974601
3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970792
N'-[6-(4-bromophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191433
N'-[6-(4-chlorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 82191432
2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine
CID 116970808
ethyl N-(6-phenylpyridazin-3-yl)carbamate
CID 59867445
6-(4-tert-butylphenyl)-N-ethylpyridazin-3-amine
CID 62202156
2-[(6-phenylpyridazin-3-yl)amino]ethyl pyridine-4-carboxylate
CID 71973719
N-[2-(2-chlorophenyl)-2-methylpropyl]-6-pyridin-3-ylpyridazin-3-amine
CID 67452963
1-(4-benzylpiperazin-1-yl)-2-[(6-phenylpyridazin-3-yl)amino]ethanone
CID 10894371
2,2-dimethyl-N-[6-(trifluoromethyl)pyridazin-3-yl]butane-1,4-diamine
CID 106142025

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine (CID 116970880) is 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine is CC(C)(CN)CNc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is SZMIAXGTLYORQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-15(2,10-16)11-17-14-9-8-13(18-19-14)12-6-4-3-5-7-12/h3-9H,10-11,16H2,1-2H3,(H,17,19).
What are the key properties of 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine?
2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-(6-phenylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 116970880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).