CID 145233283

C7H7N2 — CID 145233283

IUPAC—
SMILESC1=C[C]2N=CNC2C=C1
InChIInChI=1S/C7H7N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H,(H,8,9)
InChIKeyKXHCPWRBCRAMHZ-UHFFFAOYSA-N
MW119.15 g/mol
LogP0.64
Rot. Bonds

About CID 145233283

CID 145233283 (PubChem CID 145233283) has the molecular formula C7H7N2 and a molecular weight of 119.15 g/mol.

Molecular Properties

Compound NameCID 145233283
PubChem CID145233283
Molecular FormulaC7H7N2
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name—
SMILESC1=C[C]2N=CNC2C=C1
InChIInChI=1S/C7H7N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H,(H,8,9)
InChIKeyKXHCPWRBCRAMHZ-UHFFFAOYSA-N
XLogP0.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 145233283 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 145233283?
The IUPAC name of CID 145233283 (CID 145233283) is not available.
What is the SMILES notation for CID 145233283?
The canonical SMILES for CID 145233283 is C1=C[C]2N=CNC2C=C1.
What is the InChIKey of CID 145233283?
The InChIKey is KXHCPWRBCRAMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2/c1-2-4-7-6(3-1)8-5-9-7/h1-6H,(H,8,9).
What are the key properties of CID 145233283?
CID 145233283 has a molecular weight of 119.15 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145233283 is sourced from PubChem (CID 145233283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).