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

C11H15ClN6 — CID 62869555

IUPAC4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H15ClN6/c1-2-3-4-5-14-10-15-9(12)16-11(17-10)18-7-6-13-8-18/h6-8H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyZIKZFLHVHWTGCD-UHFFFAOYSA-N
MW266.74 g/mol
LogP2.31
Rot. Bonds6

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

4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine (PubChem CID 62869555) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine
PubChem CID62869555
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C11H15ClN6/c1-2-3-4-5-14-10-15-9(12)16-11(17-10)18-7-6-13-8-18/h6-8H,2-5H2,1H3,(H,14,15,16,17)
InChIKeyZIKZFLHVHWTGCD-UHFFFAOYSA-N
XLogP2.31
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine (CID 62869555) is 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine is CCCCCNc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine?
The InChIKey is ZIKZFLHVHWTGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-2-3-4-5-14-10-15-9(12)16-11(17-10)18-7-6-13-8-18/h6-8H,2-5H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine has a molecular weight of 266.74 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).