nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine

C7H10N6O3 — CID 45489388

IUPACnitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccncc1.O=[N+]([O-])O
InChIInChI=1S/C7H9N5.HNO3/c8-7(9)12-11-5-6-1-3-10-4-2-6;2-1(3)4/h1-5H,(H4,8,9,12);(H,2,3,4)/b11-5+;
InChIKeyIDLCRSPTOZQCMP-HMXKFKBXSA-N
MW226.20 g/mol
LogP-0.66
Rot. Bonds2

About nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine

nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine (PubChem CID 45489388) has the molecular formula C7H10N6O3 and a molecular weight of 226.20 g/mol. Its IUPAC name is nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine.

Molecular Properties

Compound Namenitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine
PubChem CID45489388
Molecular FormulaC7H10N6O3
Molecular Weight226.20 g/mol
Exact Mass226.08
IUPAC Namenitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine
SMILESNC(N)=N/N=C/c1ccncc1.O=[N+]([O-])O
InChIInChI=1S/C7H9N5.HNO3/c8-7(9)12-11-5-6-1-3-10-4-2-6;2-1(3)4/h1-5H,(H4,8,9,12);(H,2,3,4)/b11-5+;
InChIKeyIDLCRSPTOZQCMP-HMXKFKBXSA-N
XLogP-0.66
TPSA153.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine?
The IUPAC name of nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine (CID 45489388) is nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine.
What is the SMILES notation for nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine?
The canonical SMILES for nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine is NC(N)=N/N=C/c1ccncc1.O=[N+]([O-])O.
What is the InChIKey of nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine?
The InChIKey is IDLCRSPTOZQCMP-HMXKFKBXSA-N. The full InChI is InChI=1S/C7H9N5.HNO3/c8-7(9)12-11-5-6-1-3-10-4-2-6;2-1(3)4/h1-5H,(H4,8,9,12);(H,2,3,4)/b11-5+;.
What are the key properties of nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine?
nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine has a molecular weight of 226.20 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitric acid;2-[(E)-pyridin-4-ylmethylideneamino]guanidine is sourced from PubChem (CID 45489388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).