1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane

C5H11N3O — CID 169443790

IUPAC1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane
SMILESC[15N]1CC[15N]([15N]=O)CC1
InChIInChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i6+1,7+1,8+1
InChIKeyCEAIOKFZXJMDAS-TTXLGWKISA-N
MW132.14 g/mol
LogP-0.08
Rot. Bonds1

About 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane

1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane (PubChem CID 169443790) has the molecular formula C5H11N3O and a molecular weight of 132.14 g/mol. Its IUPAC name is 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane.

Molecular Properties

Compound Name1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane
PubChem CID169443790
Molecular FormulaC5H11N3O
Molecular Weight132.14 g/mol
Exact Mass132.08
IUPAC Name1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane
SMILESC[15N]1CC[15N]([15N]=O)CC1
InChIInChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i6+1,7+1,8+1
InChIKeyCEAIOKFZXJMDAS-TTXLGWKISA-N
XLogP-0.08
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane?
The IUPAC name of 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane (CID 169443790) is 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane.
What is the SMILES notation for 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane?
The canonical SMILES for 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane is C[15N]1CC[15N]([15N]=O)CC1.
What is the InChIKey of 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane?
The InChIKey is CEAIOKFZXJMDAS-TTXLGWKISA-N. The full InChI is InChI=1S/C5H11N3O/c1-7-2-4-8(6-9)5-3-7/h2-5H2,1H3/i6+1,7+1,8+1.
What are the key properties of 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane?
1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane has a molecular weight of 132.14 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(15N)nitroso-(1,4-15N2)1,4-diazinane is sourced from PubChem (CID 169443790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).