2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal

C11H18N4O2 — CID 155480122

IUPAC2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal
SMILESCNC(C=O)CCn1ncc2c1N(C)CCO2
InChIInChI=1S/C11H18N4O2/c1-12-9(8-16)3-4-15-11-10(7-13-15)17-6-5-14(11)2/h7-9,12H,3-6H2,1-2H3
InChIKeyFMFCJHFOONKGIG-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.11
Rot. Bonds5

About 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal

2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal (PubChem CID 155480122) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal.

Molecular Properties

Compound Name2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal
PubChem CID155480122
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal
SMILESCNC(C=O)CCn1ncc2c1N(C)CCO2
InChIInChI=1S/C11H18N4O2/c1-12-9(8-16)3-4-15-11-10(7-13-15)17-6-5-14(11)2/h7-9,12H,3-6H2,1-2H3
InChIKeyFMFCJHFOONKGIG-UHFFFAOYSA-N
XLogP-0.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal?
The IUPAC name of 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal (CID 155480122) is 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal.
What is the SMILES notation for 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal?
The canonical SMILES for 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal is CNC(C=O)CCn1ncc2c1N(C)CCO2.
What is the InChIKey of 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal?
The InChIKey is FMFCJHFOONKGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-12-9(8-16)3-4-15-11-10(7-13-15)17-6-5-14(11)2/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal?
2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal has a molecular weight of 238.29 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(7-methyl-5,6-dihydropyrazolo[4,5-b][1,4]oxazin-1-yl)butanal is sourced from PubChem (CID 155480122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).