N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine

C12H14N4 — CID 6410655

IUPACN'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine
SMILESNCCNc1nnccc1-c1ccccc1
InChIInChI=1S/C12H14N4/c13-7-9-14-12-11(6-8-15-16-12)10-4-2-1-3-5-10/h1-6,8H,7,9,13H2,(H,14,16)
InChIKeyDEJHNWVBOVPFCD-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.51
Rot. Bonds4

About N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine

N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine (PubChem CID 6410655) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine
PubChem CID6410655
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine
SMILESNCCNc1nnccc1-c1ccccc1
InChIInChI=1S/C12H14N4/c13-7-9-14-12-11(6-8-15-16-12)10-4-2-1-3-5-10/h1-6,8H,7,9,13H2,(H,14,16)
InChIKeyDEJHNWVBOVPFCD-UHFFFAOYSA-N
XLogP1.51
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine (CID 6410655) is N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine is NCCNc1nnccc1-c1ccccc1.
What is the InChIKey of N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine?
The InChIKey is DEJHNWVBOVPFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-7-9-14-12-11(6-8-15-16-12)10-4-2-1-3-5-10/h1-6,8H,7,9,13H2,(H,14,16).
What are the key properties of N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine?
N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-phenylpyridazin-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 6410655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).