2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine

C10H13BrN8 — CID 140931951

IUPAC2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Br)cc(C=NN=C(N)N)c1
InChIInChI=1S/C10H13BrN8/c11-8-2-6(4-16-18-9(12)13)1-7(3-8)5-17-19-10(14)15/h1-5H,(H4,12,13,18)(H4,14,15,19)
InChIKeyQNANQGXBTGMFHF-UHFFFAOYSA-N
MW325.17 g/mol
LogP-0.34
Rot. Bonds4

About 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine

2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine (PubChem CID 140931951) has the molecular formula C10H13BrN8 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
PubChem CID140931951
Molecular FormulaC10H13BrN8
Molecular Weight325.17 g/mol
Exact Mass324.04
IUPAC Name2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1cc(Br)cc(C=NN=C(N)N)c1
InChIInChI=1S/C10H13BrN8/c11-8-2-6(4-16-18-9(12)13)1-7(3-8)5-17-19-10(14)15/h1-5H,(H4,12,13,18)(H4,14,15,19)
InChIKeyQNANQGXBTGMFHF-UHFFFAOYSA-N
XLogP-0.34
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 5-0.34
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
CID 142491979
2-[(3,5-dichlorophenyl)methylideneamino]guanidine
CID 66842284
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
CID 44542176
2-[(3,4,5-trichlorophenyl)methylideneamino]guanidine
CID 140863883
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(3-bromo-4-hydroxy-5-nitrophenyl)methylideneamino]guanidine
CID 168592594
2-[(Z)-(3,5-dichloro-4-methoxyphenyl)methylideneamino]guanidine
CID 66842140
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)methylideneamino]guanidine
CID 168592761
2-[(E)-[3-[(4-bromophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 110338183

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine (CID 140931951) is 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1cc(Br)cc(C=NN=C(N)N)c1.
What is the InChIKey of 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
The InChIKey is QNANQGXBTGMFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN8/c11-8-2-6(4-16-18-9(12)13)1-7(3-8)5-17-19-10(14)15/h1-5H,(H4,12,13,18)(H4,14,15,19).
What are the key properties of 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine?
2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine has a molecular weight of 325.17 g/mol, XLogP of -0.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-5-[(diaminomethylidenehydrazinylidene)methyl]phenyl]methylideneamino]guanidine is sourced from PubChem (CID 140931951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).