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

C4H10N10O2 — CID 139255631

IUPACdiaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(N)=[NH2+].Nc1nc(N)nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3H4N7O2.CH5N3/c4-1-6-2(5)8-3(7-1)9-10(11)12;2-1(3)4/h(H4-,4,5,6,7,8,9);(H5,2,3,4)/q-1;/p+1
InChIKeyTVSJRACWWFKWOS-UHFFFAOYSA-O
MW230.19 g/mol
LogP-3.75
Rot. Bonds2

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

diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide (PubChem CID 139255631) has the molecular formula C4H10N10O2 and a molecular weight of 230.19 g/mol. Its IUPAC name is diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide.

Molecular Properties

Compound Namediaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
PubChem CID139255631
Molecular FormulaC4H10N10O2
Molecular Weight230.19 g/mol
Exact Mass230.10
IUPAC Namediaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(N)=[NH2+].Nc1nc(N)nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3H4N7O2.CH5N3/c4-1-6-2(5)8-3(7-1)9-10(11)12;2-1(3)4/h(H4-,4,5,6,7,8,9);(H5,2,3,4)/q-1;/p+1
InChIKeyTVSJRACWWFKWOS-UHFFFAOYSA-O
XLogP-3.75
TPSA225.58 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 5-3.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4,6-Diamino-1,3,5-triazin-2-yl)guanidine Nitrate
CID 129318357
Diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
CID 139255624
Diaminomethylideneazanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide
CID 139255625
[4,6-Bis(difluoroamino)-1,3,5-triazin-2-yl]-nitroazanide;diaminomethylideneazanium
CID 139255627
Diaminomethylideneazanium;(4,6-dinitrooxy-1,3,5-triazin-2-yl)-nitroazanide
CID 139255629
(4,6-Diamino-1,3,5-triazin-2-yl)-nitroazanide
CID 139255632
Amino(diaminomethylidene)azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
CID 139255633
Amino(diaminomethylidene)azanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide
CID 139255634
Amino(diaminomethylidene)azanium;(4,6-dinitrooxy-1,3,5-triazin-2-yl)-nitroazanide
CID 139255636
Amino(diaminomethylidene)azanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
CID 139255637
(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
CID 139255638
(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
CID 139255642

Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide?
The IUPAC name of diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide (CID 139255631) is diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide.
What is the SMILES notation for diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide?
The canonical SMILES for diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide is NC(N)=[NH2+].Nc1nc(N)nc([N-][N+](=O)[O-])n1.
What is the InChIKey of diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide?
The InChIKey is TVSJRACWWFKWOS-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4N7O2.CH5N3/c4-1-6-2(5)8-3(7-1)9-10(11)12;2-1(3)4/h(H4-,4,5,6,7,8,9);(H5,2,3,4)/q-1;/p+1.
What are the key properties of diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide?
diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide has a molecular weight of 230.19 g/mol, XLogP of -3.75, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide is sourced from PubChem (CID 139255631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).