6-ethyl-N-methyl-5-phenylpyridazin-3-amine

C13H15N3 — CID 79008561

IUPAC6-ethyl-N-methyl-5-phenylpyridazin-3-amine
SMILESCCc1nnc(NC)cc1-c1ccccc1
InChIInChI=1S/C13H15N3/c1-3-12-11(9-13(14-2)16-15-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyJYHYKBZNAJZMCS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.75
Rot. Bonds3

About 6-ethyl-N-methyl-5-phenylpyridazin-3-amine

6-ethyl-N-methyl-5-phenylpyridazin-3-amine (PubChem CID 79008561) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 6-ethyl-N-methyl-5-phenylpyridazin-3-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-5-phenylpyridazin-3-amine
PubChem CID79008561
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name6-ethyl-N-methyl-5-phenylpyridazin-3-amine
SMILESCCc1nnc(NC)cc1-c1ccccc1
InChIInChI=1S/C13H15N3/c1-3-12-11(9-13(14-2)16-15-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16)
InChIKeyJYHYKBZNAJZMCS-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-5-phenylpyridazin-3-amine?
The IUPAC name of 6-ethyl-N-methyl-5-phenylpyridazin-3-amine (CID 79008561) is 6-ethyl-N-methyl-5-phenylpyridazin-3-amine.
What is the SMILES notation for 6-ethyl-N-methyl-5-phenylpyridazin-3-amine?
The canonical SMILES for 6-ethyl-N-methyl-5-phenylpyridazin-3-amine is CCc1nnc(NC)cc1-c1ccccc1.
What is the InChIKey of 6-ethyl-N-methyl-5-phenylpyridazin-3-amine?
The InChIKey is JYHYKBZNAJZMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-12-11(9-13(14-2)16-15-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,14,16).
What are the key properties of 6-ethyl-N-methyl-5-phenylpyridazin-3-amine?
6-ethyl-N-methyl-5-phenylpyridazin-3-amine has a molecular weight of 213.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-5-phenylpyridazin-3-amine is sourced from PubChem (CID 79008561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).