butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine

C15H22Cl5N7 — CID 162120381

IUPACbutan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine
SMILESCCCCCc1nc(Cl)nnc1Cl.CCCCN.Clc1nnc(Cl)c(Cl)n1
InChIInChI=1S/C8H11Cl2N3.C4H11N.C3Cl3N3/c1-2-3-4-5-6-7(9)12-13-8(10)11-6;1-2-3-4-5;4-1-2(5)8-9-3(6)7-1/h2-5H2,1H3;2-5H2,1H3;
InChIKeyZHIFYWLSVGKOFS-UHFFFAOYSA-N
MW477.66 g/mol
LogP5.49
Rot. Bonds6

About butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine

butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine (PubChem CID 162120381) has the molecular formula C15H22Cl5N7 and a molecular weight of 477.66 g/mol. Its IUPAC name is butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine.

Molecular Properties

Compound Namebutan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine
PubChem CID162120381
Molecular FormulaC15H22Cl5N7
Molecular Weight477.66 g/mol
Exact Mass475.04
IUPAC Namebutan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine
SMILESCCCCCc1nc(Cl)nnc1Cl.CCCCN.Clc1nnc(Cl)c(Cl)n1
InChIInChI=1S/C8H11Cl2N3.C4H11N.C3Cl3N3/c1-2-3-4-5-6-7(9)12-13-8(10)11-6;1-2-3-4-5;4-1-2(5)8-9-3(6)7-1/h2-5H2,1H3;2-5H2,1H3;
InChIKeyZHIFYWLSVGKOFS-UHFFFAOYSA-N
XLogP5.49
TPSA103.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.66
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine 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

5-bromo-2-chloro-4-pentylpyrimidine
CID 174599025
3-(3,5-dimethyl-1,2,4-triazin-6-yl)propan-1-amine
CID 82414076
2-methyl-4,5,6-tripentylpyrimidine
CID 66935521
butan-1-amine;dodecan-1-amine
CID 158532895
1,4-dihexylpyrrolo[3,4-c]pyrrole-3,6-dione
CID 141389615
CID 159237160
CID 159237160
potassium;octadecan-1-amine;chloride
CID 174768392
butan-1-amine;dichlorogermane
CID 174998668
3,6-dichloro-N-hexan-2-yl-1,2,4-triazin-5-amine
CID 81037998
tris(butan-1-amine);methylsilane
CID 161377074
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine?
The IUPAC name of butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine (CID 162120381) is butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine.
What is the SMILES notation for butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine?
The canonical SMILES for butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine is CCCCCc1nc(Cl)nnc1Cl.CCCCN.Clc1nnc(Cl)c(Cl)n1.
What is the InChIKey of butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine?
The InChIKey is ZHIFYWLSVGKOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3.C4H11N.C3Cl3N3/c1-2-3-4-5-6-7(9)12-13-8(10)11-6;1-2-3-4-5;4-1-2(5)8-9-3(6)7-1/h2-5H2,1H3;2-5H2,1H3;.
What are the key properties of butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine?
butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine has a molecular weight of 477.66 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;3,6-dichloro-5-pentyl-1,2,4-triazine;3,5,6-trichloro-1,2,4-triazine is sourced from PubChem (CID 162120381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).