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

C15H31N3 — CID 144894132

IUPACN,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane
SMILESC=C(C)n1nc(C)cc/c1=N\C.CC.CC.CC
InChIInChI=1S/C9H13N3.3C2H6/c1-7(2)12-9(10-4)6-5-8(3)11-12;3*1-2/h5-6H,1H2,2-4H3;3*1-2H3/b10-9+;;;
InChIKeyFJUYIWWCPLPPJZ-WCVSPGPUSA-N
MW253.43 g/mol
LogP4.29
Rot. Bonds1

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

N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane (PubChem CID 144894132) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane.

Molecular Properties

Compound NameN,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane
PubChem CID144894132
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane
SMILESC=C(C)n1nc(C)cc/c1=N\C.CC.CC.CC
InChIInChI=1S/C9H13N3.3C2H6/c1-7(2)12-9(10-4)6-5-8(3)11-12;3*1-2/h5-6H,1H2,2-4H3;3*1-2H3/b10-9+;;;
InChIKeyFJUYIWWCPLPPJZ-WCVSPGPUSA-N
XLogP4.29
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.29
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;ethane?
The IUPAC name of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane (CID 144894132) is N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane.
What is the SMILES notation for N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane?
The canonical SMILES for N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane is C=C(C)n1nc(C)cc/c1=N\C.CC.CC.CC.
What is the InChIKey of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane?
The InChIKey is FJUYIWWCPLPPJZ-WCVSPGPUSA-N. The full InChI is InChI=1S/C9H13N3.3C2H6/c1-7(2)12-9(10-4)6-5-8(3)11-12;3*1-2/h5-6H,1H2,2-4H3;3*1-2H3/b10-9+;;;.
What are the key properties of N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane?
N,6-dimethyl-2-prop-1-en-2-ylpyridazin-3-imine;ethane has a molecular weight of 253.43 g/mol, XLogP of 4.29, 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;ethane is sourced from PubChem (CID 144894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).