2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane

C10H13Cl2N5 — CID 175831446

IUPAC2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane
SMILESClc1nnc(Cl)c(N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C10H13Cl2N5/c11-7-8(14-9(12)16-15-7)17-5-10(6-17)1-3-13-4-2-10/h13H,1-6H2
InChIKeyPGUCXUIRAYRDAH-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.37
Rot. Bonds1

About 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane

2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane (PubChem CID 175831446) has the molecular formula C10H13Cl2N5 and a molecular weight of 274.15 g/mol. Its IUPAC name is 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane
PubChem CID175831446
Molecular FormulaC10H13Cl2N5
Molecular Weight274.15 g/mol
Exact Mass273.05
IUPAC Name2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane
SMILESClc1nnc(Cl)c(N2CC3(CCNCC3)C2)n1
InChIInChI=1S/C10H13Cl2N5/c11-7-8(14-9(12)16-15-7)17-5-10(6-17)1-3-13-4-2-10/h13H,1-6H2
InChIKeyPGUCXUIRAYRDAH-UHFFFAOYSA-N
XLogP1.37
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane 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-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane (CID 175831446) is 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane is Clc1nnc(Cl)c(N2CC3(CCNCC3)C2)n1.
What is the InChIKey of 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane?
The InChIKey is PGUCXUIRAYRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N5/c11-7-8(14-9(12)16-15-7)17-5-10(6-17)1-3-13-4-2-10/h13H,1-6H2.
What are the key properties of 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane?
2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane has a molecular weight of 274.15 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloro-1,2,4-triazin-5-yl)-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 175831446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).