N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine

C12H15N5 — CID 116970489

IUPACN-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
SMILESCNCCNc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C12H15N5/c1-13-8-9-15-12-3-2-11(16-17-12)10-4-6-14-7-5-10/h2-7,13H,8-9H2,1H3,(H,15,17)
InChIKeyKZBKRGBSORORDZ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.17
Rot. Bonds5

About N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine

N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine (PubChem CID 116970489) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
PubChem CID116970489
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine
SMILESCNCCNc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C12H15N5/c1-13-8-9-15-12-3-2-11(16-17-12)10-4-6-14-7-5-10/h2-7,13H,8-9H2,1H3,(H,15,17)
InChIKeyKZBKRGBSORORDZ-UHFFFAOYSA-N
XLogP1.17
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine (CID 116970489) is N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine is CNCCNc1ccc(-c2ccncc2)nn1.
What is the InChIKey of N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine?
The InChIKey is KZBKRGBSORORDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-13-8-9-15-12-3-2-11(16-17-12)10-4-6-14-7-5-10/h2-7,13H,8-9H2,1H3,(H,15,17).
What are the key properties of N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine?
N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 116970489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).