3,5,6-trichloro-2-N-propylpyridine-2,4-diamine

C8H10Cl3N3 — CID 102383001

IUPAC3,5,6-trichloro-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H10Cl3N3/c1-2-3-13-8-5(10)6(12)4(9)7(11)14-8/h2-3H2,1H3,(H3,12,13,14)
InChIKeyNZSYGKCIYFVRLD-UHFFFAOYSA-N
MW254.55 g/mol
LogP3.45
Rot. Bonds3

About 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine

3,5,6-trichloro-2-N-propylpyridine-2,4-diamine (PubChem CID 102383001) has the molecular formula C8H10Cl3N3 and a molecular weight of 254.55 g/mol. Its IUPAC name is 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine.

Molecular Properties

Compound Name3,5,6-trichloro-2-N-propylpyridine-2,4-diamine
PubChem CID102383001
Molecular FormulaC8H10Cl3N3
Molecular Weight254.55 g/mol
Exact Mass252.99
IUPAC Name3,5,6-trichloro-2-N-propylpyridine-2,4-diamine
SMILESCCCNc1nc(Cl)c(Cl)c(N)c1Cl
InChIInChI=1S/C8H10Cl3N3/c1-2-3-13-8-5(10)6(12)4(9)7(11)14-8/h2-3H2,1H3,(H3,12,13,14)
InChIKeyNZSYGKCIYFVRLD-UHFFFAOYSA-N
XLogP3.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.55
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine 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

2,3,5-trichloro-6-hydrazinylpyridin-4-amine
CID 2388444
1-amino-1-[2-[amino(carbamoyl)amino]-5-chloro-6-(propylamino)pyrimidin-4-yl]urea
CID 174833265
propyl 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 3090753
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058
6-chloro-2-N-propylpyrimidine-2,4-diamine
CID 19073886
2-chloro-6-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-4,8-diamine
CID 144717395
4-N-[(2-chlorophenyl)methyl]-6-N-propylpyrimidine-4,5,6-triamine
CID 19135528
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
1-ethyl-3-N-propylpyrazole-3,4-diamine;dihydrochloride
CID 102565631
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
6-N-propyl-7H-purine-2,6-diamine
CID 22916641

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine?
The IUPAC name of 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine (CID 102383001) is 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine.
What is the SMILES notation for 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine?
The canonical SMILES for 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine is CCCNc1nc(Cl)c(Cl)c(N)c1Cl.
What is the InChIKey of 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine?
The InChIKey is NZSYGKCIYFVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl3N3/c1-2-3-13-8-5(10)6(12)4(9)7(11)14-8/h2-3H2,1H3,(H3,12,13,14).
What are the key properties of 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine?
3,5,6-trichloro-2-N-propylpyridine-2,4-diamine has a molecular weight of 254.55 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-2-N-propylpyridine-2,4-diamine is sourced from PubChem (CID 102383001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).