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

C12H22ClN5 — CID 3107861

IUPAC6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C12H22ClN5/c1-3-5-6-7-9-15-12-17-10(13)16-11(18-12)14-8-4-2/h3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVZOIQFKEFUVZQJ-UHFFFAOYSA-N
MW271.80 g/mol
LogP3.34
Rot. Bonds9

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

6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 3107861) has the molecular formula C12H22ClN5 and a molecular weight of 271.80 g/mol. Its IUPAC name is 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID3107861
Molecular FormulaC12H22ClN5
Molecular Weight271.80 g/mol
Exact Mass271.16
IUPAC Name6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C12H22ClN5/c1-3-5-6-7-9-15-12-17-10(13)16-11(18-12)14-8-4-2/h3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyVZOIQFKEFUVZQJ-UHFFFAOYSA-N
XLogP3.34
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.80
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Simazine
CID 5216
Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deisopropylatrazine
CID 13878
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
N-Butyl-1,3,5-triazine-2,4,6-triamine
CID 197831
N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 3107861) is 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCCCNc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VZOIQFKEFUVZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN5/c1-3-5-6-7-9-15-12-17-10(13)16-11(18-12)14-8-4-2/h3-9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 271.80 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3107861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).