4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine

C6H4BrClN6 — CID 80852898

IUPAC4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C6H4BrClN6/c7-3-1-10-14(2-3)6-12-4(8)11-5(9)13-6/h1-2H,(H2,9,11,12,13)
InChIKeyMMTTXKRDBZFTBH-UHFFFAOYSA-N
MW275.50 g/mol
LogP1.06
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine

4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine (PubChem CID 80852898) has the molecular formula C6H4BrClN6 and a molecular weight of 275.50 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
PubChem CID80852898
Molecular FormulaC6H4BrClN6
Molecular Weight275.50 g/mol
Exact Mass273.94
IUPAC Name4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(-n2cc(Br)cn2)n1
InChIInChI=1S/C6H4BrClN6/c7-3-1-10-14(2-3)6-12-4(8)11-5(9)13-6/h1-2H,(H2,9,11,12,13)
InChIKeyMMTTXKRDBZFTBH-UHFFFAOYSA-N
XLogP1.06
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.50
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine 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 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine (CID 80852898) is 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine?
The InChIKey is MMTTXKRDBZFTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN6/c7-3-1-10-14(2-3)6-12-4(8)11-5(9)13-6/h1-2H,(H2,9,11,12,13).
What are the key properties of 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine?
4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine has a molecular weight of 275.50 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 80852898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).