2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide

C8H12N8 — CID 102530764

IUPAC2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
SMILES[H]/N=C(\N)C(C)(C#N)/N=N/C(C)(C#N)/C(N)=N/[H]
InChIInChI=1S/C8H12N8/c1-7(3-9,5(11)12)15-16-8(2,4-10)6(13)14/h1-2H3,(H3,11,12)(H3,13,14)/b16-15+
InChIKeyLUYYGMXSBWFQFM-FOCLMDBBSA-N
MW220.24 g/mol
LogP-0.12
Rot. Bonds4

About 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide

2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide (PubChem CID 102530764) has the molecular formula C8H12N8 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide.

Molecular Properties

Compound Name2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
PubChem CID102530764
Molecular FormulaC8H12N8
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide
SMILES[H]/N=C(\N)C(C)(C#N)/N=N/C(C)(C#N)/C(N)=N/[H]
InChIInChI=1S/C8H12N8/c1-7(3-9,5(11)12)15-16-8(2,4-10)6(13)14/h1-2H3,(H3,11,12)(H3,13,14)/b16-15+
InChIKeyLUYYGMXSBWFQFM-FOCLMDBBSA-N
XLogP-0.12
TPSA172.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
2,2-dimethylpropanediimidamide;dihydrochloride
CID 140977550
2,2-diaminopropanimidamide
CID 87520938
3-amino-2,2-dimethylbut-3-enimidamide
CID 163752584
2-(2-cyanoacetyl)-2-methylpropanediimidamide
CID 151732695
2-methyl-2-nitrosopropanimidamide
CID 55282032
2,2-dibromopropanimidamide;dihydrochloride
CID 71777001
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
1-carbamimidoyl-2-(2-cyanopropan-2-yl)guanidine;hydrochloride
CID 176526326
2-hydroxy-2-methylbutanimidamide
CID 23422942
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
2,2-dichloropropanediimidamide
CID 4114057

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide?
The IUPAC name of 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide (CID 102530764) is 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide.
What is the SMILES notation for 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide?
The canonical SMILES for 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide is [H]/N=C(\N)C(C)(C#N)/N=N/C(C)(C#N)/C(N)=N/[H].
What is the InChIKey of 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide?
The InChIKey is LUYYGMXSBWFQFM-FOCLMDBBSA-N. The full InChI is InChI=1S/C8H12N8/c1-7(3-9,5(11)12)15-16-8(2,4-10)6(13)14/h1-2H3,(H3,11,12)(H3,13,14)/b16-15+.
What are the key properties of 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide?
2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide has a molecular weight of 220.24 g/mol, XLogP of -0.12, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-cyano-1-iminopropan-2-yl)diazenyl]-2-cyanopropanimidamide is sourced from PubChem (CID 102530764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).