acridine;1-nitroguanidine

C14H13N5O2 — CID 174339962

IUPACacridine;1-nitroguanidine
SMILES[H]/N=C(\N)N[N+](=O)[O-].c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.CH4N4O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2-1(3)4-5(6)7/h1-9H;(H4,2,3,4)
InChIKeyVNYCBXNZLPTUMD-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.05
Rot. Bonds1

About acridine;1-nitroguanidine

acridine;1-nitroguanidine (PubChem CID 174339962) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is acridine;1-nitroguanidine.

Molecular Properties

Compound Nameacridine;1-nitroguanidine
PubChem CID174339962
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Nameacridine;1-nitroguanidine
SMILES[H]/N=C(\N)N[N+](=O)[O-].c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.CH4N4O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2-1(3)4-5(6)7/h1-9H;(H4,2,3,4)
InChIKeyVNYCBXNZLPTUMD-UHFFFAOYSA-N
XLogP2.05
TPSA117.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of acridine;1-nitroguanidine?
The IUPAC name of acridine;1-nitroguanidine (CID 174339962) is acridine;1-nitroguanidine.
What is the SMILES notation for acridine;1-nitroguanidine?
The canonical SMILES for acridine;1-nitroguanidine is [H]/N=C(\N)N[N+](=O)[O-].c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;1-nitroguanidine?
The InChIKey is VNYCBXNZLPTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.CH4N4O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2-1(3)4-5(6)7/h1-9H;(H4,2,3,4).
What are the key properties of acridine;1-nitroguanidine?
acridine;1-nitroguanidine has a molecular weight of 283.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;1-nitroguanidine is sourced from PubChem (CID 174339962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).