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

C13H17N5 — CID 116970808

IUPAC2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C13H17N5/c1-10(8-14)9-16-13-3-2-12(17-18-13)11-4-6-15-7-5-11/h2-7,10H,8-9,14H2,1H3,(H,16,18)
InChIKeyQELFQCYJEPEUFT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.55
Rot. Bonds5

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

2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine (PubChem CID 116970808) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine
PubChem CID116970808
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine
SMILESCC(CN)CNc1ccc(-c2ccncc2)nn1
InChIInChI=1S/C13H17N5/c1-10(8-14)9-16-13-3-2-12(17-18-13)11-4-6-15-7-5-11/h2-7,10H,8-9,14H2,1H3,(H,16,18)
InChIKeyQELFQCYJEPEUFT-UHFFFAOYSA-N
XLogP1.55
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine?
The IUPAC name of 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine (CID 116970808) is 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine is CC(CN)CNc1ccc(-c2ccncc2)nn1.
What is the InChIKey of 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine?
The InChIKey is QELFQCYJEPEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-10(8-14)9-16-13-3-2-12(17-18-13)11-4-6-15-7-5-11/h2-7,10H,8-9,14H2,1H3,(H,16,18).
What are the key properties of 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine?
2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine has a molecular weight of 243.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(6-pyridin-4-ylpyridazin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 116970808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).