CID 162284017

C4H18N10 — CID 162284017

IUPAC—
SMILESCC.CN.[H]N=C.[N-]=[N+]=NN.[N-]=[N+]=NN
InChIInChI=1S/C2H6.CH5N.CH3N.2H2N4/c3*1-2;2*1-3-4-2/h1-2H3;2H2,1H3;2H,1H2;2*1H2
InChIKeyNSNZQHRTOMQNOJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP1.21
Rot. Bonds

About CID 162284017

CID 162284017 (PubChem CID 162284017) has the molecular formula C4H18N10 and a molecular weight of 206.26 g/mol.

Molecular Properties

Compound NameCID 162284017
PubChem CID162284017
Molecular FormulaC4H18N10
Molecular Weight206.26 g/mol
Exact Mass206.17
IUPAC Name—
SMILESCC.CN.[H]N=C.[N-]=[N+]=NN.[N-]=[N+]=NN
InChIInChI=1S/C2H6.CH5N.CH3N.2H2N4/c3*1-2;2*1-3-4-2/h1-2H3;2H2,1H3;2H,1H2;2*1H2
InChIKeyNSNZQHRTOMQNOJ-UHFFFAOYSA-N
XLogP1.21
TPSA199.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 CID 162284017?
The IUPAC name of CID 162284017 (CID 162284017) is not available.
What is the SMILES notation for CID 162284017?
The canonical SMILES for CID 162284017 is CC.CN.[H]N=C.[N-]=[N+]=NN.[N-]=[N+]=NN.
What is the InChIKey of CID 162284017?
The InChIKey is NSNZQHRTOMQNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH5N.CH3N.2H2N4/c3*1-2;2*1-3-4-2/h1-2H3;2H2,1H3;2H,1H2;2*1H2.
What are the key properties of CID 162284017?
CID 162284017 has a molecular weight of 206.26 g/mol, XLogP of 1.21, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162284017 is sourced from PubChem (CID 162284017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).