ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine

C10H20N2 — CID 91063026

IUPACethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine
SMILESC=C(C)N1CC=CCN1C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-8(2)10-7-5-4-6-9(10)3;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3
InChIKeyIUXBXQFQTIROBD-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.26
Rot. Bonds1

About ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine

ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine (PubChem CID 91063026) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine.

Molecular Properties

Compound Nameethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine
PubChem CID91063026
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine
SMILESC=C(C)N1CC=CCN1C.CC
InChIInChI=1S/C8H14N2.C2H6/c1-8(2)10-7-5-4-6-9(10)3;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3
InChIKeyIUXBXQFQTIROBD-UHFFFAOYSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
The IUPAC name of ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine (CID 91063026) is ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine.
What is the SMILES notation for ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
The canonical SMILES for ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine is C=C(C)N1CC=CCN1C.CC.
What is the InChIKey of ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
The InChIKey is IUXBXQFQTIROBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-8(2)10-7-5-4-6-9(10)3;1-2/h4-5H,1,6-7H2,2-3H3;1-2H3.
What are the key properties of ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine?
ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine has a molecular weight of 168.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-prop-1-en-2-yl-3,6-dihydropyridazine is sourced from PubChem (CID 91063026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).