2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide

C14H24N4O2 — CID 142323092

IUPAC2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide
SMILESCC1(NC=O)CN(c2cccnn2)C1.COC(C)(C)C
InChIInChI=1S/C9H12N4O.C5H12O/c1-9(10-7-14)5-13(6-9)8-3-2-4-11-12-8;1-5(2,3)6-4/h2-4,7H,5-6H2,1H3,(H,10,14);1-4H3
InChIKeyKGHJSBOQKXJEKJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds3

About 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide

2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide (PubChem CID 142323092) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide.

Molecular Properties

Compound Name2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide
PubChem CID142323092
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide
SMILESCC1(NC=O)CN(c2cccnn2)C1.COC(C)(C)C
InChIInChI=1S/C9H12N4O.C5H12O/c1-9(10-7-14)5-13(6-9)8-3-2-4-11-12-8;1-5(2,3)6-4/h2-4,7H,5-6H2,1H3,(H,10,14);1-4H3
InChIKeyKGHJSBOQKXJEKJ-UHFFFAOYSA-N
XLogP1.23
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide?
The IUPAC name of 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide (CID 142323092) is 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide.
What is the SMILES notation for 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide?
The canonical SMILES for 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide is CC1(NC=O)CN(c2cccnn2)C1.COC(C)(C)C.
What is the InChIKey of 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide?
The InChIKey is KGHJSBOQKXJEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.C5H12O/c1-9(10-7-14)5-13(6-9)8-3-2-4-11-12-8;1-5(2,3)6-4/h2-4,7H,5-6H2,1H3,(H,10,14);1-4H3.
What are the key properties of 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide?
2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide has a molecular weight of 280.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpropane;N-(3-methyl-1-pyridazin-3-ylazetidin-3-yl)formamide is sourced from PubChem (CID 142323092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).