N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide

C6H7N5 — CID 100936433

IUPACN-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(C#N)=C(\N)C#N
InChIInChI=1S/C6H7N5/c1-10-4-11-6(3-8)5(9)2-7/h4H,9H2,1H3,(H,10,11)/b6-5-
InChIKeyNFDLNFOEGVBKIZ-WAYWQWQTSA-N
MW149.16 g/mol
LogP-0.55
Rot. Bonds2

About N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide

N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide (PubChem CID 100936433) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide
PubChem CID100936433
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC NameN-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide
SMILESC/N=C/N/C(C#N)=C(\N)C#N
InChIInChI=1S/C6H7N5/c1-10-4-11-6(3-8)5(9)2-7/h4H,9H2,1H3,(H,10,11)/b6-5-
InChIKeyNFDLNFOEGVBKIZ-WAYWQWQTSA-N
XLogP-0.55
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide?
The IUPAC name of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide (CID 100936433) is N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide is C/N=C/N/C(C#N)=C(\N)C#N.
What is the InChIKey of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide?
The InChIKey is NFDLNFOEGVBKIZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H7N5/c1-10-4-11-6(3-8)5(9)2-7/h4H,9H2,1H3,(H,10,11)/b6-5-.
What are the key properties of N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide?
N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide has a molecular weight of 149.16 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1,2-dicyanoethenyl]-N'-methylmethanimidamide is sourced from PubChem (CID 100936433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).