CID 58766103

C5H4ClN3O2 — CID 58766103

IUPAC—
SMILES[CH]Oc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H4ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1H,2H3
InChIKeyKHNCXLDKYOAFHH-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.58
Rot. Bonds2

About CID 58766103

CID 58766103 (PubChem CID 58766103) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol.

Molecular Properties

Compound NameCID 58766103
PubChem CID58766103
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Name—
SMILES[CH]Oc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H4ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1H,2H3
InChIKeyKHNCXLDKYOAFHH-UHFFFAOYSA-N
XLogP0.58
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze CID 58766103 with MolForge

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

Launch Full Analysis

Related Compounds

2-Chloro-4,6-dimethoxy-1,3,5-triazine
CID 18450
2,4,6-Trimethoxy-1,3,5-triazine
CID 13419
2,4-Dichloro-6-methoxy-3,5-triazine
CID 19267
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
2-Azido-4,6-dimethoxy-1,3,5-triazine
CID 35499
4-Chloro-6-methoxy-1,3,5-triazin-2-amine
CID 23689
1-Fluoro-2,4,6-trimethoxy-1,3,5-triazin-1-ium
CID 17827063
2-Fluoro-4,6-dimethoxy-1,3,5-triazine
CID 150249762
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
4-chloro-6-methoxy-N,N-dimethyl-1,3,5-triazin-2-amine
CID 26319
Potassium 4,6-dimethoxy-1,3,5-triazin-2-olate
CID 23671963
2,4-Dimethoxy-6-(trifluoromethoxy)-1,3,5-triazine
CID 140232291

Frequently Asked Questions

What is the IUPAC name of CID 58766103?
The IUPAC name of CID 58766103 (CID 58766103) is not available.
What is the SMILES notation for CID 58766103?
The canonical SMILES for CID 58766103 is [CH]Oc1nc(Cl)nc(OC)n1.
What is the InChIKey of CID 58766103?
The InChIKey is KHNCXLDKYOAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c1-10-4-7-3(6)8-5(9-4)11-2/h1H,2H3.
What are the key properties of CID 58766103?
CID 58766103 has a molecular weight of 173.56 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58766103 is sourced from PubChem (CID 58766103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).