diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide

C4H6N14O2 — CID 139255624

IUPACdiaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(N)=[NH2+].[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3N11O2.CH5N3/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1
InChIKeyRKYINAMJWNDHKP-UHFFFAOYSA-O
MW282.19 g/mol
LogP-1.03
Rot. Bonds4

About diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide

diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide (PubChem CID 139255624) has the molecular formula C4H6N14O2 and a molecular weight of 282.19 g/mol. Its IUPAC name is diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide.

Molecular Properties

Compound Namediaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
PubChem CID139255624
Molecular FormulaC4H6N14O2
Molecular Weight282.19 g/mol
Exact Mass282.08
IUPAC Namediaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(N)=[NH2+].[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3N11O2.CH5N3/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1
InChIKeyRKYINAMJWNDHKP-UHFFFAOYSA-O
XLogP-1.03
TPSA271.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The IUPAC name of diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide (CID 139255624) is diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide.
What is the SMILES notation for diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The canonical SMILES for diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide is NC(N)=[NH2+].[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1.
What is the InChIKey of diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The InChIKey is RKYINAMJWNDHKP-UHFFFAOYSA-O. The full InChI is InChI=1S/C3N11O2.CH5N3/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;2-1(3)4/h;(H5,2,3,4)/q-1;/p+1.
What are the key properties of diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide has a molecular weight of 282.19 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide is sourced from PubChem (CID 139255624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).