2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine

C13H19N5 — CID 116971655

IUPAC2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCNC(C)(C)CNc1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C13H19N5/c1-13(2,14-3)9-16-12-7-6-11(17-18-12)10-5-4-8-15-10/h4-8,14-15H,9H2,1-3H3,(H,16,18)
InChIKeyKANLMZOEAHTSRN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.88
Rot. Bonds5

About 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine

2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine (PubChem CID 116971655) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
PubChem CID116971655
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine
SMILESCNC(C)(C)CNc1ccc(-c2ccc[nH]2)nn1
InChIInChI=1S/C13H19N5/c1-13(2,14-3)9-16-12-7-6-11(17-18-12)10-5-4-8-15-10/h4-8,14-15H,9H2,1-3H3,(H,16,18)
InChIKeyKANLMZOEAHTSRN-UHFFFAOYSA-N
XLogP1.88
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine (CID 116971655) is 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine is CNC(C)(C)CNc1ccc(-c2ccc[nH]2)nn1.
What is the InChIKey of 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
The InChIKey is KANLMZOEAHTSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-13(2,14-3)9-16-12-7-6-11(17-18-12)10-5-4-8-15-10/h4-8,14-15H,9H2,1-3H3,(H,16,18).
What are the key properties of 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine?
2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-1-N-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,2-diamine is sourced from PubChem (CID 116971655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).