3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine

C8H10Cl2N4 — CID 81035319

IUPAC3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NC2CCCC2)n1
InChIInChI=1S/C8H10Cl2N4/c9-6-7(12-8(10)14-13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H,11,12,14)
InChIKeyGKTQSRFGHXVHGJ-UHFFFAOYSA-N
MW233.10 g/mol
LogP2.53
Rot. Bonds2

About 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine

3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine (PubChem CID 81035319) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine.

Molecular Properties

Compound Name3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
PubChem CID81035319
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC Name3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine
SMILESClc1nnc(Cl)c(NC2CCCC2)n1
InChIInChI=1S/C8H10Cl2N4/c9-6-7(12-8(10)14-13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H,11,12,14)
InChIKeyGKTQSRFGHXVHGJ-UHFFFAOYSA-N
XLogP2.53
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-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 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine?
The IUPAC name of 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine (CID 81035319) is 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine.
What is the SMILES notation for 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine?
The canonical SMILES for 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine is Clc1nnc(Cl)c(NC2CCCC2)n1.
What is the InChIKey of 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine?
The InChIKey is GKTQSRFGHXVHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N4/c9-6-7(12-8(10)14-13-6)11-5-3-1-2-4-5/h5H,1-4H2,(H,11,12,14).
What are the key properties of 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine?
3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine has a molecular weight of 233.10 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-cyclopentyl-1,2,4-triazin-5-amine is sourced from PubChem (CID 81035319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).