2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid

C9H13N5O4 — CID 56642931

IUPAC2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid
SMILESCOc1ccc(/C=N\N=C(N)N)cc1.O=[N+]([O-])O
InChIInChI=1S/C9H12N4O.HNO3/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11;2-1(3)4/h2-6H,1H3,(H4,10,11,13);(H,2,3,4)/b12-6-;
InChIKeyUMKRVZBPLQUNOM-DAMYXMBDSA-N
MW255.23 g/mol
LogP-0.05
Rot. Bonds3

About 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid

2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid (PubChem CID 56642931) has the molecular formula C9H13N5O4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid.

Molecular Properties

Compound Name2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid
PubChem CID56642931
Molecular FormulaC9H13N5O4
Molecular Weight255.23 g/mol
Exact Mass255.10
IUPAC Name2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid
SMILESCOc1ccc(/C=N\N=C(N)N)cc1.O=[N+]([O-])O
InChIInChI=1S/C9H12N4O.HNO3/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11;2-1(3)4/h2-6H,1H3,(H4,10,11,13);(H,2,3,4)/b12-6-;
InChIKeyUMKRVZBPLQUNOM-DAMYXMBDSA-N
XLogP-0.05
TPSA149.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.05
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 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid?
The IUPAC name of 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid (CID 56642931) is 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid.
What is the SMILES notation for 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid?
The canonical SMILES for 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid is COc1ccc(/C=N\N=C(N)N)cc1.O=[N+]([O-])O.
What is the InChIKey of 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid?
The InChIKey is UMKRVZBPLQUNOM-DAMYXMBDSA-N. The full InChI is InChI=1S/C9H12N4O.HNO3/c1-14-8-4-2-7(3-5-8)6-12-13-9(10)11;2-1(3)4/h2-6H,1H3,(H4,10,11,13);(H,2,3,4)/b12-6-;.
What are the key properties of 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid?
2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid has a molecular weight of 255.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine;nitric acid is sourced from PubChem (CID 56642931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).