N-pentyl-1,3,5-triazin-2-amine

C8H14N4 — CID 66709572

IUPACN-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1ncncn1
InChIInChI=1S/C8H14N4/c1-2-3-4-5-10-8-11-6-9-7-12-8/h6-7H,2-5H2,1H3,(H,9,10,11,12)
InChIKeyMAHPGXZLLFMXGT-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.47
Rot. Bonds5

About N-pentyl-1,3,5-triazin-2-amine

N-pentyl-1,3,5-triazin-2-amine (PubChem CID 66709572) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N-pentyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-pentyl-1,3,5-triazin-2-amine
PubChem CID66709572
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN-pentyl-1,3,5-triazin-2-amine
SMILESCCCCCNc1ncncn1
InChIInChI=1S/C8H14N4/c1-2-3-4-5-10-8-11-6-9-7-12-8/h6-7H,2-5H2,1H3,(H,9,10,11,12)
InChIKeyMAHPGXZLLFMXGT-UHFFFAOYSA-N
XLogP1.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-pentyl-1,3,5-triazin-2-amine?
The IUPAC name of N-pentyl-1,3,5-triazin-2-amine (CID 66709572) is N-pentyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-pentyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-pentyl-1,3,5-triazin-2-amine is CCCCCNc1ncncn1.
What is the InChIKey of N-pentyl-1,3,5-triazin-2-amine?
The InChIKey is MAHPGXZLLFMXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-3-4-5-10-8-11-6-9-7-12-8/h6-7H,2-5H2,1H3,(H,9,10,11,12).
What are the key properties of N-pentyl-1,3,5-triazin-2-amine?
N-pentyl-1,3,5-triazin-2-amine has a molecular weight of 166.23 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 66709572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).