1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine

C8H11N7O2 — CID 69016333

IUPAC1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
SMILESNC(N)=NN/C(N)=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H11N7O2/c9-7(10)13-14-8(11)12-5-1-3-6(4-2-5)15(16)17/h1-4H,(H4,9,10,13)(H3,11,12,14)
InChIKeyJOCJDLBOOADVMM-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.68
Rot. Bonds3

About 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine

1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine (PubChem CID 69016333) has the molecular formula C8H11N7O2 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
PubChem CID69016333
Molecular FormulaC8H11N7O2
Molecular Weight237.22 g/mol
Exact Mass237.10
IUPAC Name1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine
SMILESNC(N)=NN/C(N)=N/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H11N7O2/c9-7(10)13-14-8(11)12-5-1-3-6(4-2-5)15(16)17/h1-4H,(H4,9,10,13)(H3,11,12,14)
InChIKeyJOCJDLBOOADVMM-UHFFFAOYSA-N
XLogP-0.68
TPSA157.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(diaminomethylideneamino)-4-nitrobenzamide
CID 10632849
2-(4-chlorophenyl)-1-(diaminomethylideneamino)guanidine
CID 69017102
1-(4-chlorophenyl)-2-(4-nitrophenyl)guanidine
CID 135981310
methyl N'-(4-nitrophenyl)carbamimidothioate;hydroiodide
CID 22100069
N-[[amino(nitramido)methylidene]amino]-4-nitrobenzamide
CID 74219905
4-(diaminomethylideneamino)benzoic acid;(4-nitrophenyl)-phenylmethanone
CID 175322843
N-[[amino-(4-nitrophenyl)methylidene]amino]formamide
CID 131741178
1-nitro-4-nitrosobenzene
CID 643547
[[(4-nitrophenyl)-phenylmethylidene]amino]thiourea
CID 3633484
4-nitro-N'-[(E)-2-(4-nitrophenyl)ethenyl]benzenecarboximidamide
CID 23469562
N-(4-tert-butylphenyl)-1,1-bis(4-nitrophenyl)methanimine
CID 166063764
1,4-dinitrobenzene;nitrous acid
CID 174371180

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine?
The IUPAC name of 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine (CID 69016333) is 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine?
The canonical SMILES for 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine is NC(N)=NN/C(N)=N/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine?
The InChIKey is JOCJDLBOOADVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2/c9-7(10)13-14-8(11)12-5-1-3-6(4-2-5)15(16)17/h1-4H,(H4,9,10,13)(H3,11,12,14).
What are the key properties of 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine?
1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine has a molecular weight of 237.22 g/mol, XLogP of -0.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-2-(4-nitrophenyl)guanidine is sourced from PubChem (CID 69016333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).