CID 172928663

C12H20N8 — CID 172928663

IUPAC—
SMILESN#Cc1ccccn1.N/N=C(\N)c1ccccn1.NN.[3H][3H].[H][3H]
InChIInChI=1S/C6H8N4.C6H4N2.H4N2.2H2/c7-6(10-8)5-3-1-2-4-9-5;7-5-6-3-1-2-4-8-6;1-2;;/h1-4H,8H2,(H2,7,10);1-4H;1-2H2;2*1H/i;;;1+2T;1+2
InChIKeyBIJRUCKLZSXAJB-LCKADIOCSA-N
MW282.37 g/mol
LogP-0.08
Rot. Bonds1

About CID 172928663

CID 172928663 (PubChem CID 172928663) has the molecular formula C12H20N8 and a molecular weight of 282.37 g/mol.

Molecular Properties

Compound NameCID 172928663
PubChem CID172928663
Molecular FormulaC12H20N8
Molecular Weight282.37 g/mol
Exact Mass282.21
IUPAC Name—
SMILESN#Cc1ccccn1.N/N=C(\N)c1ccccn1.NN.[3H][3H].[H][3H]
InChIInChI=1S/C6H8N4.C6H4N2.H4N2.2H2/c7-6(10-8)5-3-1-2-4-9-5;7-5-6-3-1-2-4-8-6;1-2;;/h1-4H,8H2,(H2,7,10);1-4H;1-2H2;2*1H/i;;;1+2T;1+2
InChIKeyBIJRUCKLZSXAJB-LCKADIOCSA-N
XLogP-0.08
TPSA166.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N'-aminopyridine-2-carboximidamide
CID 5464234
pyridine-2-carbonitrile;zinc
CID 161067493
N'-amino-6-cyanopyridine-2-carboximidamide
CID 133058241
ethane;pyridine-2-carbonitrile
CID 90851694
CID 172948847
CID 172948847
sodium;methanolate;pyridine-2-carbonitrile
CID 174929880
dicopper;bis(pyridine-2-carbonitrile);tetraacetate
CID 139086400
N'-amino-2-cyanopyridine-3-carboximidamide
CID 138107943
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
3-amino-3-phenyl-2-pyridin-2-ylprop-2-enenitrile
CID 4114741
N'-(pyridin-2-ylamino)pyridine-2-carboximidamide
CID 139161473
N'-(pyridin-2-ylmethyl)pyridine-2-carboximidamide
CID 528154

Frequently Asked Questions

What is the IUPAC name of CID 172928663?
The IUPAC name of CID 172928663 (CID 172928663) is not available.
What is the SMILES notation for CID 172928663?
The canonical SMILES for CID 172928663 is N#Cc1ccccn1.N/N=C(\N)c1ccccn1.NN.[3H][3H].[H][3H].
What is the InChIKey of CID 172928663?
The InChIKey is BIJRUCKLZSXAJB-LCKADIOCSA-N. The full InChI is InChI=1S/C6H8N4.C6H4N2.H4N2.2H2/c7-6(10-8)5-3-1-2-4-9-5;7-5-6-3-1-2-4-8-6;1-2;;/h1-4H,8H2,(H2,7,10);1-4H;1-2H2;2*1H/i;;;1+2T;1+2.
What are the key properties of CID 172928663?
CID 172928663 has a molecular weight of 282.37 g/mol, XLogP of -0.08, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172928663 is sourced from PubChem (CID 172928663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).