CID 101144980

C3N8 — CID 101144980

IUPAC—
SMILES[N]c1nc([N])nc(N=[N+]=[N-])n1
InChIInChI=1S/C3N8/c4-1-7-2(5)9-3(8-1)10-11-6
InChIKeyRHFIQRGRQLVNON-UHFFFAOYSA-N
MW148.09 g/mol
LogP0.21
Rot. Bonds1

About CID 101144980

CID 101144980 (PubChem CID 101144980) has the molecular formula C3N8 and a molecular weight of 148.09 g/mol.

Molecular Properties

Compound NameCID 101144980
PubChem CID101144980
Molecular FormulaC3N8
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name—
SMILES[N]c1nc([N])nc(N=[N+]=[N-])n1
InChIInChI=1S/C3N8/c4-1-7-2(5)9-3(8-1)10-11-6
InChIKeyRHFIQRGRQLVNON-UHFFFAOYSA-N
XLogP0.21
TPSA132.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 50.21
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101144980?
The IUPAC name of CID 101144980 (CID 101144980) is not available.
What is the SMILES notation for CID 101144980?
The canonical SMILES for CID 101144980 is [N]c1nc([N])nc(N=[N+]=[N-])n1.
What is the InChIKey of CID 101144980?
The InChIKey is RHFIQRGRQLVNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C3N8/c4-1-7-2(5)9-3(8-1)10-11-6.
What are the key properties of CID 101144980?
CID 101144980 has a molecular weight of 148.09 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101144980 is sourced from PubChem (CID 101144980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).