CID 58296357

C8H8N3 — CID 58296357

IUPAC
SMILES[NH]Cc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,9H,5H2,(H,10,11)
InChIKeyNSABBWNGRXBSEM-UHFFFAOYSA-N
MW146.17 g/mol
LogP1.35
Rot. Bonds1

About CID 58296357

CID 58296357 (PubChem CID 58296357) has the molecular formula C8H8N3 and a molecular weight of 146.17 g/mol.

Molecular Properties

Compound NameCID 58296357
PubChem CID58296357
Molecular FormulaC8H8N3
Molecular Weight146.17 g/mol
Exact Mass146.07
IUPAC Name
SMILES[NH]Cc1nc2ccccc2[nH]1
InChIInChI=1S/C8H8N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,9H,5H2,(H,10,11)
InChIKeyNSABBWNGRXBSEM-UHFFFAOYSA-N
XLogP1.35
TPSA52.48 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 58296357?
The IUPAC name of CID 58296357 (CID 58296357) is not available.
What is the SMILES notation for CID 58296357?
The canonical SMILES for CID 58296357 is [NH]Cc1nc2ccccc2[nH]1.
What is the InChIKey of CID 58296357?
The InChIKey is NSABBWNGRXBSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4,9H,5H2,(H,10,11).
What are the key properties of CID 58296357?
CID 58296357 has a molecular weight of 146.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58296357 is sourced from PubChem (CID 58296357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).