2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine

C14H18N4 — CID 14450214

IUPAC2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine
SMILESCc1cc(-c2ccccc2)nnc1NC(C)CN
InChIInChI=1S/C14H18N4/c1-10-8-13(12-6-4-3-5-7-12)17-18-14(10)16-11(2)9-15/h3-8,11H,9,15H2,1-2H3,(H,16,18)
InChIKeyPPAZUZVROKJZEK-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds4

About 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine

2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine (PubChem CID 14450214) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine
PubChem CID14450214
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine
SMILESCc1cc(-c2ccccc2)nnc1NC(C)CN
InChIInChI=1S/C14H18N4/c1-10-8-13(12-6-4-3-5-7-12)17-18-14(10)16-11(2)9-15/h3-8,11H,9,15H2,1-2H3,(H,16,18)
InChIKeyPPAZUZVROKJZEK-UHFFFAOYSA-N
XLogP2.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
The IUPAC name of 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine (CID 14450214) is 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine is Cc1cc(-c2ccccc2)nnc1NC(C)CN.
What is the InChIKey of 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
The InChIKey is PPAZUZVROKJZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-8-13(12-6-4-3-5-7-12)17-18-14(10)16-11(2)9-15/h3-8,11H,9,15H2,1-2H3,(H,16,18).
What are the key properties of 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine?
2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methyl-6-phenylpyridazin-3-yl)propane-1,2-diamine is sourced from PubChem (CID 14450214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).