4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine

C11H19ClN4O — CID 55124436

IUPAC4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C11H19ClN4O/c1-3-5-6-7-13-10-14-9(12)15-11(16-10)17-8-4-2/h3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyHTJPLYBQGRVXAM-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.92
Rot. Bonds8

About 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55124436) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55124436
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(Cl)nc(OCCC)n1
InChIInChI=1S/C11H19ClN4O/c1-3-5-6-7-13-10-14-9(12)15-11(16-10)17-8-4-2/h3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyHTJPLYBQGRVXAM-UHFFFAOYSA-N
XLogP2.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine (CID 55124436) is 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine is CCCCCNc1nc(Cl)nc(OCCC)n1.
What is the InChIKey of 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is HTJPLYBQGRVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-5-6-7-13-10-14-9(12)15-11(16-10)17-8-4-2/h3-8H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 258.75 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pentyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).