N,N-dimethylnitramide;quinazoline

C10H12N4O2 — CID 18176213

IUPACN,N-dimethylnitramide;quinazoline
SMILESCN(C)[N+](=O)[O-].c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C2H6N2O2/c1-2-4-8-7(3-1)5-9-6-10-8;1-3(2)4(5)6/h1-6H;1-2H3
InChIKeyMVIXKNHEEVVGQK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.37
Rot. Bonds1

About N,N-dimethylnitramide;quinazoline

N,N-dimethylnitramide;quinazoline (PubChem CID 18176213) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N,N-dimethylnitramide;quinazoline.

Molecular Properties

Compound NameN,N-dimethylnitramide;quinazoline
PubChem CID18176213
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN,N-dimethylnitramide;quinazoline
SMILESCN(C)[N+](=O)[O-].c1ccc2ncncc2c1
InChIInChI=1S/C8H6N2.C2H6N2O2/c1-2-4-8-7(3-1)5-9-6-10-8;1-3(2)4(5)6/h1-6H;1-2H3
InChIKeyMVIXKNHEEVVGQK-UHFFFAOYSA-N
XLogP1.37
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylnitramide;quinazoline?
The IUPAC name of N,N-dimethylnitramide;quinazoline (CID 18176213) is N,N-dimethylnitramide;quinazoline.
What is the SMILES notation for N,N-dimethylnitramide;quinazoline?
The canonical SMILES for N,N-dimethylnitramide;quinazoline is CN(C)[N+](=O)[O-].c1ccc2ncncc2c1.
What is the InChIKey of N,N-dimethylnitramide;quinazoline?
The InChIKey is MVIXKNHEEVVGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C2H6N2O2/c1-2-4-8-7(3-1)5-9-6-10-8;1-3(2)4(5)6/h1-6H;1-2H3.
What are the key properties of N,N-dimethylnitramide;quinazoline?
N,N-dimethylnitramide;quinazoline has a molecular weight of 220.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylnitramide;quinazoline is sourced from PubChem (CID 18176213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).