(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide

C4H8N16O2 — CID 139255638

IUPAC(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
SMILESNN/C(N)=[NH+]\N.[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3N11O2.CH7N5/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;2-1(5-3)6-4/h;3-4H2,(H3,2,5,6)/q-1;/p+1
InChIKeyPCAYDPPCRGBHTB-UHFFFAOYSA-O
MW312.22 g/mol
LogP-2.33
Rot. Bonds4

About (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide

(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide (PubChem CID 139255638) has the molecular formula C4H8N16O2 and a molecular weight of 312.22 g/mol. Its IUPAC name is (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide.

Molecular Properties

Compound Name(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
PubChem CID139255638
Molecular FormulaC4H8N16O2
Molecular Weight312.22 g/mol
Exact Mass312.10
IUPAC Name(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
SMILESNN/C(N)=[NH+]\N.[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3N11O2.CH7N5/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;2-1(5-3)6-4/h;3-4H2,(H3,2,5,6)/q-1;/p+1
InChIKeyPCAYDPPCRGBHTB-UHFFFAOYSA-O
XLogP-2.33
TPSA297.49 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The IUPAC name of (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide (CID 139255638) is (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide.
What is the SMILES notation for (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The canonical SMILES for (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide is NN/C(N)=[NH+]\N.[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1.
What is the InChIKey of (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The InChIKey is PCAYDPPCRGBHTB-UHFFFAOYSA-O. The full InChI is InChI=1S/C3N11O2.CH7N5/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;2-1(5-3)6-4/h;3-4H2,(H3,2,5,6)/q-1;/p+1.
What are the key properties of (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
(Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide has a molecular weight of 312.22 g/mol, XLogP of -2.33, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-amino-[amino(hydrazinyl)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide is sourced from PubChem (CID 139255638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).