5-N-chloropyridine-2,4,5-triamine

C5H7ClN4 — CID 87287870

IUPAC5-N-chloropyridine-2,4,5-triamine
SMILESNc1cc(N)c(NCl)cn1
InChIInChI=1S/C5H7ClN4/c6-10-4-2-9-5(8)1-3(4)7/h1-2,10H,(H4,7,8,9)
InChIKeyJIFVLLDJKILMRS-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.81
Rot. Bonds1

About 5-N-chloropyridine-2,4,5-triamine

5-N-chloropyridine-2,4,5-triamine (PubChem CID 87287870) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-N-chloropyridine-2,4,5-triamine.

Molecular Properties

Compound Name5-N-chloropyridine-2,4,5-triamine
PubChem CID87287870
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name5-N-chloropyridine-2,4,5-triamine
SMILESNc1cc(N)c(NCl)cn1
InChIInChI=1S/C5H7ClN4/c6-10-4-2-9-5(8)1-3(4)7/h1-2,10H,(H4,7,8,9)
InChIKeyJIFVLLDJKILMRS-UHFFFAOYSA-N
XLogP0.81
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 5-N-chloropyridine-2,4,5-triamine 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

4,6-diaminopyridin-3-ol
CID 133056691
2,6-naphthyridine-3,7-diamine
CID 141099373
1-N-chloro-4-fluorobenzene-1,2-diamine
CID 175119536
5-phenylpyridine-2,4-diamine
CID 118999182
5-propylpyridine-2,4-diamine
CID 57315909
4-N-(2-amino-4,5-dichlorophenyl)pyrimidine-4,6-diamine
CID 89380661
5-N-tert-butyl-4-(trifluoromethyl)pyridine-2,5-diamine
CID 174640637
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
CID 174075528
CID 174075528
2-amino-5-(2-bromo-3-chloroanilino)pyridine-4-carboxylic acid
CID 114195437
2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
CID 114261361
5-(4-amino-2-pyridinyl)pyridine-2,4-diamine
CID 171572394

Frequently Asked Questions

What is the IUPAC name of 5-N-chloropyridine-2,4,5-triamine?
The IUPAC name of 5-N-chloropyridine-2,4,5-triamine (CID 87287870) is 5-N-chloropyridine-2,4,5-triamine.
What is the SMILES notation for 5-N-chloropyridine-2,4,5-triamine?
The canonical SMILES for 5-N-chloropyridine-2,4,5-triamine is Nc1cc(N)c(NCl)cn1.
What is the InChIKey of 5-N-chloropyridine-2,4,5-triamine?
The InChIKey is JIFVLLDJKILMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c6-10-4-2-9-5(8)1-3(4)7/h1-2,10H,(H4,7,8,9).
What are the key properties of 5-N-chloropyridine-2,4,5-triamine?
5-N-chloropyridine-2,4,5-triamine has a molecular weight of 158.59 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-chloropyridine-2,4,5-triamine is sourced from PubChem (CID 87287870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).