N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide

C5H5N5 — CID 3005068

IUPACN'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
SMILESN#C/C(N)=C(C#N)\N=C\N
InChIInChI=1S/C5H5N5/c6-1-4(9)5(2-7)10-3-8/h3H,9H2,(H2,8,10)/b5-4+
InChIKeyJOWVYROMILUUHH-SNAWJCMRSA-N
MW135.13 g/mol
LogP-0.81
Rot. Bonds1

About N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide

N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide (PubChem CID 3005068) has the molecular formula C5H5N5 and a molecular weight of 135.13 g/mol. Its IUPAC name is N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
PubChem CID3005068
Molecular FormulaC5H5N5
Molecular Weight135.13 g/mol
Exact Mass135.05
IUPAC NameN'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
SMILESN#C/C(N)=C(C#N)\N=C\N
InChIInChI=1S/C5H5N5/c6-1-4(9)5(2-7)10-3-8/h3H,9H2,(H2,8,10)/b5-4+
InChIKeyJOWVYROMILUUHH-SNAWJCMRSA-N
XLogP-0.81
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile
CID 5466521
(Z)-2-amino-3-[(2,4-dichlorophenyl)methylideneamino]but-2-enedinitrile
CID 2737740
N'-(1,2-dicyanoethenyl)methanimidamide
CID 173463412
(Z)-2-amino-3-[[4-(2-methylpropyl)phenyl]methylideneamino]but-2-enedinitrile
CID 2737671
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
CID 3736377
(Z)-2-amino-3-[(3-methoxyphenyl)methylideneamino]but-2-enedinitrile
CID 70420350
(Z)-2-amino-3-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]but-2-enedinitrile
CID 139048156
(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile
CID 2820725
N'-[(E)-2-amino-1,2-dicyanoethenyl]-3-methylbutanimidamide;hydrochloride
CID 142655276
(Z)-2-amino-3-[[2-chloro-4-(trifluoromethoxy)phenyl]methylideneamino]but-2-enedinitrile
CID 14210516
2-amino-3-[[2-(2,4,6-trifluorophenyl)triazol-4-yl]methylideneamino]but-2-enedinitrile
CID 54270376
(E)-2-amino-3-[(2-oxocyclohexylidene)amino]but-2-enedinitrile
CID 5383712

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide?
The IUPAC name of N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide (CID 3005068) is N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide.
What is the SMILES notation for N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide?
The canonical SMILES for N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide is N#C/C(N)=C(C#N)\N=C\N.
What is the InChIKey of N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide?
The InChIKey is JOWVYROMILUUHH-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H5N5/c6-1-4(9)5(2-7)10-3-8/h3H,9H2,(H2,8,10)/b5-4+.
What are the key properties of N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide?
N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide has a molecular weight of 135.13 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide is sourced from PubChem (CID 3005068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).