1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine

C14H18N4O — CID 175937699

IUPAC1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine
SMILES[2H]c1nnc(NC2CCOC(C)(C)C2)c2cnccc12
InChIInChI=1S/C14H18N4O/c1-14(2)7-11(4-6-19-14)17-13-12-9-15-5-3-10(12)8-16-18-13/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,17,18)/i8D
InChIKeyHGCWZGOUMIEYMM-BNEYPBHNSA-N
MW259.33 g/mol
LogP2.39
Rot. Bonds2

About 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine

1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine (PubChem CID 175937699) has the molecular formula C14H18N4O and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine.

Molecular Properties

Compound Name1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine
PubChem CID175937699
Molecular FormulaC14H18N4O
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine
SMILES[2H]c1nnc(NC2CCOC(C)(C)C2)c2cnccc12
InChIInChI=1S/C14H18N4O/c1-14(2)7-11(4-6-19-14)17-13-12-9-15-5-3-10(12)8-16-18-13/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,17,18)/i8D
InChIKeyHGCWZGOUMIEYMM-BNEYPBHNSA-N
XLogP2.39
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine?
The IUPAC name of 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine (CID 175937699) is 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine.
What is the SMILES notation for 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine?
The canonical SMILES for 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine is [2H]c1nnc(NC2CCOC(C)(C)C2)c2cnccc12.
What is the InChIKey of 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine?
The InChIKey is HGCWZGOUMIEYMM-BNEYPBHNSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2)7-11(4-6-19-14)17-13-12-9-15-5-3-10(12)8-16-18-13/h3,5,8-9,11H,4,6-7H2,1-2H3,(H,17,18)/i8D.
What are the key properties of 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine?
1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine has a molecular weight of 259.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-N-(2,2-dimethyloxan-4-yl)pyrido[3,4-d]pyridazin-4-amine is sourced from PubChem (CID 175937699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).