CID 159901352

H6N12O2P2 — CID 159901352

IUPAC—
SMILESNP(N)(N)=O.[N-]=[N+]=NP(=O)(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/N9OP.H6N3OP/c1-4-7-11(10,8-5-2)9-6-3;1-5(2,3)4/h;(H6,1,2,3,4)
InChIKeyNVZOUQKLWDOGTI-UHFFFAOYSA-N
MW268.08 g/mol
LogP2.00
Rot. Bonds3

About CID 159901352

CID 159901352 (PubChem CID 159901352) has the molecular formula H6N12O2P2 and a molecular weight of 268.08 g/mol.

Molecular Properties

Compound NameCID 159901352
PubChem CID159901352
Molecular FormulaH6N12O2P2
Molecular Weight268.08 g/mol
Exact Mass268.02
IUPAC Name—
SMILESNP(N)(N)=O.[N-]=[N+]=NP(=O)(N=[N+]=[N-])N=[N+]=[N-]
InChIInChI=1S/N9OP.H6N3OP/c1-4-7-11(10,8-5-2)9-6-3;1-5(2,3)4/h;(H6,1,2,3,4)
InChIKeyNVZOUQKLWDOGTI-UHFFFAOYSA-N
XLogP2.00
TPSA258.48 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.08
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159901352?
The IUPAC name of CID 159901352 (CID 159901352) is not available.
What is the SMILES notation for CID 159901352?
The canonical SMILES for CID 159901352 is NP(N)(N)=O.[N-]=[N+]=NP(=O)(N=[N+]=[N-])N=[N+]=[N-].
What is the InChIKey of CID 159901352?
The InChIKey is NVZOUQKLWDOGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/N9OP.H6N3OP/c1-4-7-11(10,8-5-2)9-6-3;1-5(2,3)4/h;(H6,1,2,3,4).
What are the key properties of CID 159901352?
CID 159901352 has a molecular weight of 268.08 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159901352 is sourced from PubChem (CID 159901352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).