CID 142514487

C7H5N4 — CID 142514487

IUPAC—
SMILESC=Cc1ncc2[nH]n[c]c2n1
InChIInChI=1S/C7H5N4/c1-2-7-8-3-6-5(10-7)4-9-11-6/h2-3H,1H2,(H,9,11)
InChIKeyOIVUTCXHXHFRHQ-UHFFFAOYSA-N
MW145.14 g/mol
LogP0.80
Rot. Bonds1

About CID 142514487

CID 142514487 (PubChem CID 142514487) has the molecular formula C7H5N4 and a molecular weight of 145.14 g/mol.

Molecular Properties

Compound NameCID 142514487
PubChem CID142514487
Molecular FormulaC7H5N4
Molecular Weight145.14 g/mol
Exact Mass145.05
IUPAC Name—
SMILESC=Cc1ncc2[nH]n[c]c2n1
InChIInChI=1S/C7H5N4/c1-2-7-8-3-6-5(10-7)4-9-11-6/h2-3H,1H2,(H,9,11)
InChIKeyOIVUTCXHXHFRHQ-UHFFFAOYSA-N
XLogP0.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze CID 142514487 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 142514487?
The IUPAC name of CID 142514487 (CID 142514487) is not available.
What is the SMILES notation for CID 142514487?
The canonical SMILES for CID 142514487 is C=Cc1ncc2[nH]n[c]c2n1.
What is the InChIKey of CID 142514487?
The InChIKey is OIVUTCXHXHFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N4/c1-2-7-8-3-6-5(10-7)4-9-11-6/h2-3H,1H2,(H,9,11).
What are the key properties of CID 142514487?
CID 142514487 has a molecular weight of 145.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142514487 is sourced from PubChem (CID 142514487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).