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

C5H7N15O3 — CID 139255648

IUPAC[amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(=[NH2+])NC(N)=O.[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3N11O2.C2H6N4O/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;3-1(4)6-2(5)7/h;(H6,3,4,5,6,7)/q-1;/p+1
InChIKeyGZJOFZMSRCHYJW-UHFFFAOYSA-O
MW325.21 g/mol
LogP-1.32
Rot. Bonds4

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

[amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide (PubChem CID 139255648) has the molecular formula C5H7N15O3 and a molecular weight of 325.21 g/mol. Its IUPAC name is [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide.

Molecular Properties

Compound Name[amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
PubChem CID139255648
Molecular FormulaC5H7N15O3
Molecular Weight325.21 g/mol
Exact Mass325.09
IUPAC Name[amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
SMILESNC(=[NH2+])NC(N)=O.[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1
InChIInChI=1S/C3N11O2.C2H6N4O/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;3-1(4)6-2(5)7/h;(H6,3,4,5,6,7)/q-1;/p+1
InChIKeyGZJOFZMSRCHYJW-UHFFFAOYSA-O
XLogP-1.32
TPSA300.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

Diaminomethylideneazanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide
CID 139255624
Diaminomethylideneazanium;(4,6-dinitrooxy-1,3,5-triazin-2-yl)-nitroazanide
CID 139255629
Diaminomethylideneazanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
CID 139255631
[Amino-(carbamoylamino)methylidene]azanium;(4,6-dinitro-1,3,5-triazin-2-yl)-nitroazanide
CID 139255649
[Amino-(carbamoylamino)methylidene]azanium;[4,6-bis(difluoroamino)-1,3,5-triazin-2-yl]-nitroazanide
CID 139255650
[Amino-(carbamoylamino)methylidene]azanium;(4,6-dinitrooxy-1,3,5-triazin-2-yl)-nitroazanide
CID 139255651
[Amino-(carbamoylamino)methylidene]azanium;(4,6-diamino-1,3,5-triazin-2-yl)-nitroazanide
CID 139255652

Frequently Asked Questions

What is the IUPAC name of [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The IUPAC name of [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide (CID 139255648) is [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide.
What is the SMILES notation for [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The canonical SMILES for [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide is NC(=[NH2+])NC(N)=O.[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc([N-][N+](=O)[O-])n1.
What is the InChIKey of [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
The InChIKey is GZJOFZMSRCHYJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C3N11O2.C2H6N4O/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16;3-1(4)6-2(5)7/h;(H6,3,4,5,6,7)/q-1;/p+1.
What are the key properties of [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide?
[amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide has a molecular weight of 325.21 g/mol, XLogP of -1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(carbamoylamino)methylidene]azanium;(4,6-diazido-1,3,5-triazin-2-yl)-nitroazanide is sourced from PubChem (CID 139255648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).