N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide

C7H8N6 — CID 148508577

IUPACN'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide
SMILES[H]/N=C(C)/C(N)=N/C(C#N)=C(N)C#N
InChIInChI=1S/C7H8N6/c1-4(10)7(12)13-6(3-9)5(11)2-8/h10H,11H2,1H3,(H2,12,13)/b6-5?,10-4+
InChIKeyXHLQGGFISGWSCQ-QPXSKLCYSA-N
MW176.18 g/mol
LogP-0.40
Rot. Bonds2

About N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide

N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide (PubChem CID 148508577) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide.

Molecular Properties

Compound NameN'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide
PubChem CID148508577
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC NameN'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide
SMILES[H]/N=C(C)/C(N)=N/C(C#N)=C(N)C#N
InChIInChI=1S/C7H8N6/c1-4(10)7(12)13-6(3-9)5(11)2-8/h10H,11H2,1H3,(H2,12,13)/b6-5?,10-4+
InChIKeyXHLQGGFISGWSCQ-QPXSKLCYSA-N
XLogP-0.40
TPSA135.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide?
The IUPAC name of N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide (CID 148508577) is N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide.
What is the SMILES notation for N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide?
The canonical SMILES for N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide is [H]/N=C(C)/C(N)=N/C(C#N)=C(N)C#N.
What is the InChIKey of N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide?
The InChIKey is XHLQGGFISGWSCQ-QPXSKLCYSA-N. The full InChI is InChI=1S/C7H8N6/c1-4(10)7(12)13-6(3-9)5(11)2-8/h10H,11H2,1H3,(H2,12,13)/b6-5?,10-4+.
What are the key properties of N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide?
N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide has a molecular weight of 176.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-amino-1,2-dicyanoethenyl)-2-iminopropanimidamide is sourced from PubChem (CID 148508577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).