N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide

C3HN11O2 — CID 24990287

IUPACN-(4,6-diazido-1,3,5-triazin-2-yl)nitramide
SMILES[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc(N[N+](=O)[O-])n1
InChIInChI=1S/C3HN11O2/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16/h(H,6,7,8,11)
InChIKeyBOSWCLCVUYRMHZ-UHFFFAOYSA-N
MW223.12 g/mol
LogP1.36
Rot. Bonds4

About N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide

N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide (PubChem CID 24990287) has the molecular formula C3HN11O2 and a molecular weight of 223.12 g/mol. Its IUPAC name is N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide.

Molecular Properties

Compound NameN-(4,6-diazido-1,3,5-triazin-2-yl)nitramide
PubChem CID24990287
Molecular FormulaC3HN11O2
Molecular Weight223.12 g/mol
Exact Mass223.03
IUPAC NameN-(4,6-diazido-1,3,5-triazin-2-yl)nitramide
SMILES[N-]=[N+]=Nc1nc(N=[N+]=[N-])nc(N[N+](=O)[O-])n1
InChIInChI=1S/C3HN11O2/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16/h(H,6,7,8,11)
InChIKeyBOSWCLCVUYRMHZ-UHFFFAOYSA-N
XLogP1.36
TPSA191.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide?
The IUPAC name of N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide (CID 24990287) is N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide.
What is the SMILES notation for N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide?
The canonical SMILES for N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide is [N-]=[N+]=Nc1nc(N=[N+]=[N-])nc(N[N+](=O)[O-])n1.
What is the InChIKey of N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide?
The InChIKey is BOSWCLCVUYRMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HN11O2/c4-12-9-1-6-2(10-13-5)8-3(7-1)11-14(15)16/h(H,6,7,8,11).
What are the key properties of N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide?
N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide has a molecular weight of 223.12 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-diazido-1,3,5-triazin-2-yl)nitramide is sourced from PubChem (CID 24990287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).