(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium

C8H10N5O2+ — CID 5210159

IUPAC(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium
SMILESNC(N)=N[NH+]=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)/p+1
InChIKeyYQHGSFFPDDIVIK-UHFFFAOYSA-O
MW208.20 g/mol
LogP-1.72
Rot. Bonds3

About (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium

(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium (PubChem CID 5210159) has the molecular formula C8H10N5O2+ and a molecular weight of 208.20 g/mol. Its IUPAC name is (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium.

Molecular Properties

Compound Name(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium
PubChem CID5210159
Molecular FormulaC8H10N5O2+
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium
SMILESNC(N)=N[NH+]=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)/p+1
InChIKeyYQHGSFFPDDIVIK-UHFFFAOYSA-O
XLogP-1.72
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1,4-dinitrobenzene;nitrous acid
CID 174371180
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
2,3-bis(4-nitrophenyl)prop-2-enamide
CID 141151082
[[amino(nitramido)methylidene]amino]-[[5-(4-nitrophenyl)furan-2-yl]methylidene]azanium
CID 4053554
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
methyl N'-[(Z)-(4-nitrophenyl)methylideneamino]carbamimidothioate
CID 6511843
1-nitro-2-[(Z)-(4-nitrophenyl)methylideneamino]guanidine
CID 6765521
1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
CID 69016333
(Z)-2-amino-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]but-2-enedinitrile
CID 139048156

Frequently Asked Questions

What is the IUPAC name of (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium?
The IUPAC name of (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium (CID 5210159) is (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium.
What is the SMILES notation for (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium?
The canonical SMILES for (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium is NC(N)=N[NH+]=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium?
The InChIKey is YQHGSFFPDDIVIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N5O2/c9-8(10)12-11-5-6-1-3-7(4-2-6)13(14)15/h1-5H,(H4,9,10,12)/p+1.
What are the key properties of (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium?
(diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium has a molecular weight of 208.20 g/mol, XLogP of -1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diaminomethylideneamino)-[(4-nitrophenyl)methylidene]azanium is sourced from PubChem (CID 5210159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).