4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine

C8H11ClN4O — CID 80877207

IUPAC4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2H,1,3-5H2,(H2,10,11,12,13)
InChIKeyYNUZUNIPLWEOHF-UHFFFAOYSA-N
MW214.66 g/mol
LogP1.45
Rot. Bonds5

About 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine

4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine (PubChem CID 80877207) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
PubChem CID80877207
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine
SMILESC=CCCCOc1nc(N)nc(Cl)n1
InChIInChI=1S/C8H11ClN4O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2H,1,3-5H2,(H2,10,11,12,13)
InChIKeyYNUZUNIPLWEOHF-UHFFFAOYSA-N
XLogP1.45
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine (CID 80877207) is 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine is C=CCCCOc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine?
The InChIKey is YNUZUNIPLWEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2H,1,3-5H2,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine?
4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine has a molecular weight of 214.66 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pent-4-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80877207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).