N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine

C9H16N4 — CID 70263776

IUPACN'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine
SMILESCCN(CCNC)c1ccnnc1
InChIInChI=1S/C9H16N4/c1-3-13(7-6-10-2)9-4-5-11-12-8-9/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyQEHKYUVOPCOZDS-UHFFFAOYSA-N
MW180.26 g/mol
LogP0.52
Rot. Bonds5

About N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine

N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine (PubChem CID 70263776) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine
PubChem CID70263776
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC NameN'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine
SMILESCCN(CCNC)c1ccnnc1
InChIInChI=1S/C9H16N4/c1-3-13(7-6-10-2)9-4-5-11-12-8-9/h4-5,8,10H,3,6-7H2,1-2H3
InChIKeyQEHKYUVOPCOZDS-UHFFFAOYSA-N
XLogP0.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine (CID 70263776) is N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine is CCN(CCNC)c1ccnnc1.
What is the InChIKey of N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine?
The InChIKey is QEHKYUVOPCOZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-3-13(7-6-10-2)9-4-5-11-12-8-9/h4-5,8,10H,3,6-7H2,1-2H3.
What are the key properties of N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine?
N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine has a molecular weight of 180.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-pyridazin-4-ylethane-1,2-diamine is sourced from PubChem (CID 70263776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).