1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine

C10H18N4 — CID 104670189

IUPAC1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
SMILESCCNCC(C)NCc1ccnnc1
InChIInChI=1S/C10H18N4/c1-3-11-6-9(2)12-7-10-4-5-13-14-8-10/h4-5,8-9,11-12H,3,6-7H2,1-2H3
InChIKeyVCFSVUGTENPYPI-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.56
Rot. Bonds6

About 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine

1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine (PubChem CID 104670189) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
PubChem CID104670189
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine
SMILESCCNCC(C)NCc1ccnnc1
InChIInChI=1S/C10H18N4/c1-3-11-6-9(2)12-7-10-4-5-13-14-8-10/h4-5,8-9,11-12H,3,6-7H2,1-2H3
InChIKeyVCFSVUGTENPYPI-UHFFFAOYSA-N
XLogP0.56
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine (CID 104670189) is 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine is CCNCC(C)NCc1ccnnc1.
What is the InChIKey of 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
The InChIKey is VCFSVUGTENPYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-3-11-6-9(2)12-7-10-4-5-13-14-8-10/h4-5,8-9,11-12H,3,6-7H2,1-2H3.
What are the key properties of 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine?
1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-(pyridazin-4-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 104670189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).