N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine

C9H13N3 — CID 144894133

IUPACN,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine
SMILESC=C(C)n1nc(C)cc/c1=N\C
InChIInChI=1S/C9H13N3/c1-7(2)12-9(10-4)6-5-8(3)11-12/h5-6H,1H2,2-4H3/b10-9+
InChIKeyBZJPAVXLHUTLEC-MDZDMXLPSA-N
MW163.22 g/mol
LogP1.21
Rot. Bonds1

About N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine

N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine (PubChem CID 144894133) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine.

Molecular Properties

Compound NameN,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine
PubChem CID144894133
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine
SMILESC=C(C)n1nc(C)cc/c1=N\C
InChIInChI=1S/C9H13N3/c1-7(2)12-9(10-4)6-5-8(3)11-12/h5-6H,1H2,2-4H3/b10-9+
InChIKeyBZJPAVXLHUTLEC-MDZDMXLPSA-N
XLogP1.21
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine?
The IUPAC name of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine (CID 144894133) is N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine.
What is the SMILES notation for N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine?
The canonical SMILES for N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine is C=C(C)n1nc(C)cc/c1=N\C.
What is the InChIKey of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine?
The InChIKey is BZJPAVXLHUTLEC-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13N3/c1-7(2)12-9(10-4)6-5-8(3)11-12/h5-6H,1H2,2-4H3/b10-9+.
What are the key properties of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine?
N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine has a molecular weight of 163.22 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine is sourced from PubChem (CID 144894133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).