2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine

C9H13N9 — CID 142491979

IUPAC2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cncc(/C=N/N=C(N)N)c1
InChIInChI=1S/C9H13N9/c10-8(11)17-15-4-6-1-7(3-14-2-6)5-16-18-9(12)13/h1-5H,(H4,10,11,17)(H4,12,13,18)/b15-4+,16-5+
InChIKeyQEEUGAFHDRWKKS-PGCXOTJKSA-N
MW247.27 g/mol
LogP-1.70
Rot. Bonds4

About 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine

2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine (PubChem CID 142491979) has the molecular formula C9H13N9 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
PubChem CID142491979
Molecular FormulaC9H13N9
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Name2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1cncc(/C=N/N=C(N)N)c1
InChIInChI=1S/C9H13N9/c10-8(11)17-15-4-6-1-7(3-14-2-6)5-16-18-9(12)13/h1-5H,(H4,10,11,17)(H4,12,13,18)/b15-4+,16-5+
InChIKeyQEEUGAFHDRWKKS-PGCXOTJKSA-N
XLogP-1.70
TPSA166.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine?
The IUPAC name of 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine (CID 142491979) is 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine is NC(N)=N/N=C/c1cncc(/C=N/N=C(N)N)c1.
What is the InChIKey of 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine?
The InChIKey is QEEUGAFHDRWKKS-PGCXOTJKSA-N. The full InChI is InChI=1S/C9H13N9/c10-8(11)17-15-4-6-1-7(3-14-2-6)5-16-18-9(12)13/h1-5H,(H4,10,11,17)(H4,12,13,18)/b15-4+,16-5+.
What are the key properties of 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine?
2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine has a molecular weight of 247.27 g/mol, XLogP of -1.70, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine is sourced from PubChem (CID 142491979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).