CID 140576511

C7H8N3 — CID 140576511

IUPAC—
SMILES[CH2]c1nc2n(n1)CC=CC2
InChIInChI=1S/C7H8N3/c1-6-8-7-4-2-3-5-10(7)9-6/h2-3H,1,4-5H2
InChIKeySPZIXRQHHWDZFR-UHFFFAOYSA-N
MW134.16 g/mol
LogP0.57
Rot. Bonds

About CID 140576511

CID 140576511 (PubChem CID 140576511) has the molecular formula C7H8N3 and a molecular weight of 134.16 g/mol.

Molecular Properties

Compound NameCID 140576511
PubChem CID140576511
Molecular FormulaC7H8N3
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name—
SMILES[CH2]c1nc2n(n1)CC=CC2
InChIInChI=1S/C7H8N3/c1-6-8-7-4-2-3-5-10(7)9-6/h2-3H,1,4-5H2
InChIKeySPZIXRQHHWDZFR-UHFFFAOYSA-N
XLogP0.57
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze CID 140576511 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 140576511?
The IUPAC name of CID 140576511 (CID 140576511) is not available.
What is the SMILES notation for CID 140576511?
The canonical SMILES for CID 140576511 is [CH2]c1nc2n(n1)CC=CC2.
What is the InChIKey of CID 140576511?
The InChIKey is SPZIXRQHHWDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c1-6-8-7-4-2-3-5-10(7)9-6/h2-3H,1,4-5H2.
What are the key properties of CID 140576511?
CID 140576511 has a molecular weight of 134.16 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140576511 is sourced from PubChem (CID 140576511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).