butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium

C10H17N4O3+ — CID 75608240

IUPACbutyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium
SMILESCCCC/[NH+]=C1\C(N=O)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C10H16N4O3/c1-4-5-6-11-8-7(12-17)9(15)14(3)10(16)13(8)2/h7H,4-6H2,1-3H3/p+1/b11-8+
InChIKeyKUSRTLCKGJFDGT-DHZHZOJOSA-O
MW241.27 g/mol
LogP-1.08
Rot. Bonds4

About butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium

butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium (PubChem CID 75608240) has the molecular formula C10H17N4O3+ and a molecular weight of 241.27 g/mol. Its IUPAC name is butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium.

Molecular Properties

Compound Namebutyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium
PubChem CID75608240
Molecular FormulaC10H17N4O3+
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Namebutyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium
SMILESCCCC/[NH+]=C1\C(N=O)C(=O)N(C)C(=O)N1C
InChIInChI=1S/C10H16N4O3/c1-4-5-6-11-8-7(12-17)9(15)14(3)10(16)13(8)2/h7H,4-6H2,1-3H3/p+1/b11-8+
InChIKeyKUSRTLCKGJFDGT-DHZHZOJOSA-O
XLogP-1.08
TPSA84.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

6-Cyclohexylimino-3-methyl-5-nitro-1,3-diazinane-2,4-dione
CID 145918467
N-(4-acetylimino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 145918504
6-Imino-3-methyl-5-nitroso-1,3-diazinane-2,4-dione
CID 137698321
3-butyl-8-ethyl-1-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 132198786
5,6-diamino-1-butyl-3-methyl-5H-pyrimidin-1-ium-2,4-dione
CID 71628297
(5-Amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)-methylazanium
CID 71650988
8-(butan-2-ylamino)-7-ethyl-1,3-dimethyl-5H-purin-7-ium-2,6-dione
CID 73327933
(1,3-Dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)-(2-hydroxyethyl)azanium
CID 73842454
2-[1,3-dimethyl-8-(methylamino)-2,6-dioxo-5H-purin-7-ium-7-yl]-N-methylacetamide
CID 74526043
N-ethyl-2-[8-(ethylamino)-1,3-dimethyl-2,6-dioxo-5H-purin-7-ium-7-yl]acetamide
CID 74776569
(1,3-Dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)-propylazanium
CID 75608239
(1,3-Dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)-pentylazanium
CID 75608241

Frequently Asked Questions

What is the IUPAC name of butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
The IUPAC name of butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium (CID 75608240) is butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium.
What is the SMILES notation for butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
The canonical SMILES for butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium is CCCC/[NH+]=C1\C(N=O)C(=O)N(C)C(=O)N1C.
What is the InChIKey of butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
The InChIKey is KUSRTLCKGJFDGT-DHZHZOJOSA-O. The full InChI is InChI=1S/C10H16N4O3/c1-4-5-6-11-8-7(12-17)9(15)14(3)10(16)13(8)2/h7H,4-6H2,1-3H3/p+1/b11-8+.
What are the key properties of butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium?
butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium has a molecular weight of 241.27 g/mol, XLogP of -1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(1,3-dimethyl-5-nitroso-2,6-dioxo-1,3-diazinan-4-ylidene)azanium is sourced from PubChem (CID 75608240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).