1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine

C10H14N6O3 — CID 168602780

IUPAC1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N6O3/c1-5-3-7(16(17)18)8(19-2)4-6(5)14-10(13)15-9(11)12/h3-4H,1-2H3,(H6,11,12,13,14,15)
InChIKeyUGRCJAGHBWRGOG-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.13
Rot. Bonds3

About 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine

1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine (PubChem CID 168602780) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine
PubChem CID168602780
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine
SMILESCOc1cc(/N=C(\N)N=C(N)N)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14N6O3/c1-5-3-7(16(17)18)8(19-2)4-6(5)14-10(13)15-9(11)12/h3-4H,1-2H3,(H6,11,12,13,14,15)
InChIKeyUGRCJAGHBWRGOG-UHFFFAOYSA-N
XLogP0.13
TPSA155.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.13
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-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

1-(diaminomethylidene)-2-(4-methyl-3,5-dinitrophenyl)guanidine
CID 168603187
2-(4-bromo-2-nitro-5-propoxyphenyl)-1-(diaminomethylidene)guanidine
CID 168601905
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
2-(4-bromo-2-methyl-6-nitrophenyl)-1-(diaminomethylidene)guanidine
CID 168601502
ethyl 4-[[amino-(diaminomethylideneamino)methylidene]amino]-3-nitrobenzoate
CID 168602151
2-(5-methoxy-2-methyl-4-nitrophenyl)propan-2-amine
CID 122629328
2-(5-bromo-3-methoxy-2-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603340
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
1-(diaminomethylidene)-2-[3-(2-methoxyphenoxy)-5-nitrophenyl]guanidine
CID 168603764
1-(diaminomethylidene)-2-[3-nitro-4-(trifluoromethoxy)phenyl]guanidine
CID 168606009
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074
(5-methoxy-4-methyl-2-nitrophenyl) 2-methylpropanoate
CID 135157275

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine (CID 168602780) is 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine is COc1cc(/N=C(\N)N=C(N)N)c(C)cc1[N+](=O)[O-].
What is the InChIKey of 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine?
The InChIKey is UGRCJAGHBWRGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-5-3-7(16(17)18)8(19-2)4-6(5)14-10(13)15-9(11)12/h3-4H,1-2H3,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine?
1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine has a molecular weight of 266.26 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(5-methoxy-2-methyl-4-nitrophenyl)guanidine is sourced from PubChem (CID 168602780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).