2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride

C7H10ClN5 — CID 54609066

IUPAC2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cccnc1
InChIInChI=1S/C7H9N5.ClH/c8-7(9)12-11-5-6-2-1-3-10-4-6;/h1-5H,(H4,8,9,12);1H/b11-5+;
InChIKeyXKRHUPYGINJFMW-HMXKFKBXSA-N
MW199.65 g/mol
LogP0.11
Rot. Bonds2

About 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride

2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride (PubChem CID 54609066) has the molecular formula C7H10ClN5 and a molecular weight of 199.65 g/mol. Its IUPAC name is 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
PubChem CID54609066
Molecular FormulaC7H10ClN5
Molecular Weight199.65 g/mol
Exact Mass199.06
IUPAC Name2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cccnc1
InChIInChI=1S/C7H9N5.ClH/c8-7(9)12-11-5-6-2-1-3-10-4-6;/h1-5H,(H4,8,9,12);1H/b11-5+;
InChIKeyXKRHUPYGINJFMW-HMXKFKBXSA-N
XLogP0.11
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

methyl N'-[(Z)-pyridin-3-ylmethylideneamino]carbamimidothioate
CID 6850946
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
2-[(E)-[5-[(E)-(diaminomethylidenehydrazinylidene)methyl]-3-pyridinyl]methylideneamino]guanidine
CID 142491979
1-nitro-2-(pyridin-3-ylmethylideneamino)guanidine
CID 131842509
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[(3-pyrazin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591514
1,1-diamino-N-[(E)-pyridin-3-ylmethylideneamino]methanimine oxide
CID 135853793
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
CID 131858610
CID 131858610
2-[(4-pyrimidin-2-yloxyphenyl)methylideneamino]guanidine
CID 168591058
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride (CID 54609066) is 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1cccnc1.
What is the InChIKey of 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride?
The InChIKey is XKRHUPYGINJFMW-HMXKFKBXSA-N. The full InChI is InChI=1S/C7H9N5.ClH/c8-7(9)12-11-5-6-2-1-3-10-4-6;/h1-5H,(H4,8,9,12);1H/b11-5+;.
What are the key properties of 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride?
2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride has a molecular weight of 199.65 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pyridin-3-ylmethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 54609066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).