2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine

C9H10N6 — CID 168591340

IUPAC2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine
SMILESN#Cc1cc(C=NN=C(N)N)ccc1N
InChIInChI=1S/C9H10N6/c10-4-7-3-6(1-2-8(7)11)5-14-15-9(12)13/h1-3,5H,11H2,(H4,12,13,15)
InChIKeyQUBGNYZGUFIDHS-UHFFFAOYSA-N
MW202.22 g/mol
LogP-0.25
Rot. Bonds2

About 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine

2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine (PubChem CID 168591340) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine
PubChem CID168591340
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine
SMILESN#Cc1cc(C=NN=C(N)N)ccc1N
InChIInChI=1S/C9H10N6/c10-4-7-3-6(1-2-8(7)11)5-14-15-9(12)13/h1-3,5H,11H2,(H4,12,13,15)
InChIKeyQUBGNYZGUFIDHS-UHFFFAOYSA-N
XLogP-0.25
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-5-formylbenzonitrile
CID 15067194
2-amino-5-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169384043
2-[(E)-(3,4-dibromophenyl)methylideneamino]guanidine
CID 44542176
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(Z)-(4-hydroxy-3-methylphenyl)methylideneamino]guanidine
CID 143815352
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
CID 5356929
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621
2-[[4-[(3-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590711
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]guanidine
CID 135460252

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine (CID 168591340) is 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine is N#Cc1cc(C=NN=C(N)N)ccc1N.
What is the InChIKey of 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine?
The InChIKey is QUBGNYZGUFIDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c10-4-7-3-6(1-2-8(7)11)5-14-15-9(12)13/h1-3,5H,11H2,(H4,12,13,15).
What are the key properties of 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine?
2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine has a molecular weight of 202.22 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-cyanophenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).