6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine

C13H24ClN5 — CID 57094645

IUPAC6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(Cl)nc(NCCCCC)n1
InChIInChI=1S/C13H24ClN5/c1-3-5-7-9-15-12-17-11(14)18-13(19-12)16-10-8-6-4-2/h3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCTFOCFBRNRMHJC-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.73
Rot. Bonds10

About 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine (PubChem CID 57094645) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine
PubChem CID57094645
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCNc1nc(Cl)nc(NCCCCC)n1
InChIInChI=1S/C13H24ClN5/c1-3-5-7-9-15-12-17-11(14)18-13(19-12)16-10-8-6-4-2/h3-10H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyCTFOCFBRNRMHJC-UHFFFAOYSA-N
XLogP3.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-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

Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Deethylatrazine
CID 22563
Cyprazine
CID 24738
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
Heptazine
CID 15950
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine (CID 57094645) is 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine is CCCCCNc1nc(Cl)nc(NCCCCC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine?
The InChIKey is CTFOCFBRNRMHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-3-5-7-9-15-12-17-11(14)18-13(19-12)16-10-8-6-4-2/h3-10H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 3.73, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 57094645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).