2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol

C9H8ClN5O — CID 136927109

IUPAC2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
SMILESNc1nc(N)nc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C9H8ClN5O/c10-5-3-4(1-2-6(5)16)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)
InChIKeyJDCSWLNSFCVKRD-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.06
Rot. Bonds1

About 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol

2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol (PubChem CID 136927109) has the molecular formula C9H8ClN5O and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
PubChem CID136927109
Molecular FormulaC9H8ClN5O
Molecular Weight237.65 g/mol
Exact Mass237.04
IUPAC Name2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol
SMILESNc1nc(N)nc(-c2ccc(O)c(Cl)c2)n1
InChIInChI=1S/C9H8ClN5O/c10-5-3-4(1-2-6(5)16)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15)
InChIKeyJDCSWLNSFCVKRD-UHFFFAOYSA-N
XLogP1.06
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol 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 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol (CID 136927109) is 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol is Nc1nc(N)nc(-c2ccc(O)c(Cl)c2)n1.
What is the InChIKey of 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
The InChIKey is JDCSWLNSFCVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5O/c10-5-3-4(1-2-6(5)16)7-13-8(11)15-9(12)14-7/h1-3,16H,(H4,11,12,13,14,15).
What are the key properties of 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol?
2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol has a molecular weight of 237.65 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4,6-diamino-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 136927109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).