1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine

C13H13N7 — CID 6913986

IUPAC1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
SMILESN/C(=N/N=C/c1cccnc1)N/N=C/c1cccnc1
InChIInChI=1S/C13H13N7/c14-13(19-17-9-11-3-1-5-15-7-11)20-18-10-12-4-2-6-16-8-12/h1-10H,(H3,14,19,20)/b17-9+,18-10+
InChIKeyCKLWOMHWWAJFMG-BEQMOXJMSA-N
MW267.30 g/mol
LogP0.75
Rot. Bonds4

About 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine

1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine (PubChem CID 6913986) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
PubChem CID6913986
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
SMILESN/C(=N/N=C/c1cccnc1)N/N=C/c1cccnc1
InChIInChI=1S/C13H13N7/c14-13(19-17-9-11-3-1-5-15-7-11)20-18-10-12-4-2-6-16-8-12/h1-10H,(H3,14,19,20)/b17-9+,18-10+
InChIKeyCKLWOMHWWAJFMG-BEQMOXJMSA-N
XLogP0.75
TPSA100.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
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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Related Compounds

1,2-bis[(E)-benzylideneamino]guanidine
CID 98427762
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
CID 54609066
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
CID 6850946
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
ethyl N-[(Z)-pyridin-3-ylmethylideneamino]carbamate
CID 5407780
1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917
1-[(4-methylphenyl)methylideneamino]-2-[(E)-(4-methylphenyl)methylideneamino]guanidine
CID 11963576
1-[(4-chlorophenyl)methylideneamino]-2-[(E)-(4-chlorophenyl)methylideneamino]guanidine
CID 137091125
1,2-bis[(Z)-(4-bromophenyl)methylideneamino]guanidine
CID 6778167
1,2-bis[(4-fluorophenyl)methylideneamino]guanidine
CID 2222853
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine (CID 6913986) is 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine is N/C(=N/N=C/c1cccnc1)N/N=C/c1cccnc1.
What is the InChIKey of 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine?
The InChIKey is CKLWOMHWWAJFMG-BEQMOXJMSA-N. The full InChI is InChI=1S/C13H13N7/c14-13(19-17-9-11-3-1-5-15-7-11)20-18-10-12-4-2-6-16-8-12/h1-10H,(H3,14,19,20)/b17-9+,18-10+.
What are the key properties of 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine?
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine has a molecular weight of 267.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine is sourced from PubChem (CID 6913986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).