cyanoiminomethylideneazanide;diaminomethylideneazanium

C3H6N6 — CID 157246509

IUPACcyanoiminomethylideneazanide;diaminomethylideneazanium
SMILESN#CN=C=[N-].NC(N)=[NH2+]
InChIInChI=1S/C2N3.CH5N3/c3-1-5-2-4;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1
InChIKeyAVVIWYTXJGYSKH-UHFFFAOYSA-O
MW126.12 g/mol
LogP-2.77
Rot. Bonds

About cyanoiminomethylideneazanide;diaminomethylideneazanium

cyanoiminomethylideneazanide;diaminomethylideneazanium (PubChem CID 157246509) has the molecular formula C3H6N6 and a molecular weight of 126.12 g/mol. Its IUPAC name is cyanoiminomethylideneazanide;diaminomethylideneazanium.

Molecular Properties

Compound Namecyanoiminomethylideneazanide;diaminomethylideneazanium
PubChem CID157246509
Molecular FormulaC3H6N6
Molecular Weight126.12 g/mol
Exact Mass126.07
IUPAC Namecyanoiminomethylideneazanide;diaminomethylideneazanium
SMILESN#CN=C=[N-].NC(N)=[NH2+]
InChIInChI=1S/C2N3.CH5N3/c3-1-5-2-4;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1
InChIKeyAVVIWYTXJGYSKH-UHFFFAOYSA-O
XLogP-2.77
TPSA136.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-2.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 10005
CID 10005
CID 5939
CID 5939
CID 76318
CID 76318
CID 5256135
CID 5256135
CID 129675160
CID 129675160
CID 129861663
CID 129861663
CID 139130085
CID 139130085
CID 19858542
CID 19858542
CID 20360519
CID 20360519
CID 21470607
CID 21470607
CID 57959726
CID 57959726
CID 87881664
CID 87881664

Frequently Asked Questions

What is the IUPAC name of cyanoiminomethylideneazanide;diaminomethylideneazanium?
The IUPAC name of cyanoiminomethylideneazanide;diaminomethylideneazanium (CID 157246509) is cyanoiminomethylideneazanide;diaminomethylideneazanium.
What is the SMILES notation for cyanoiminomethylideneazanide;diaminomethylideneazanium?
The canonical SMILES for cyanoiminomethylideneazanide;diaminomethylideneazanium is N#CN=C=[N-].NC(N)=[NH2+].
What is the InChIKey of cyanoiminomethylideneazanide;diaminomethylideneazanium?
The InChIKey is AVVIWYTXJGYSKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C2N3.CH5N3/c3-1-5-2-4;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1.
What are the key properties of cyanoiminomethylideneazanide;diaminomethylideneazanium?
cyanoiminomethylideneazanide;diaminomethylideneazanium has a molecular weight of 126.12 g/mol, XLogP of -2.77, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanoiminomethylideneazanide;diaminomethylideneazanium is sourced from PubChem (CID 157246509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).