N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine

C9H12Cl2N4O — CID 106405801

IUPACN-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESC=CCCOCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4O/c1-2-3-5-16-6-4-12-9-14-7(10)13-8(11)15-9/h2H,1,3-6H2,(H,12,13,14,15)
InChIKeyGVHPGERPPZZMAL-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.18
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine

N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 106405801) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID106405801
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC NameN-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESC=CCCOCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H12Cl2N4O/c1-2-3-5-16-6-4-12-9-14-7(10)13-8(11)15-9/h2H,1,3-6H2,(H,12,13,14,15)
InChIKeyGVHPGERPPZZMAL-UHFFFAOYSA-N
XLogP2.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.18
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 N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine (CID 106405801) is N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine is C=CCCOCCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is GVHPGERPPZZMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c1-2-3-5-16-6-4-12-9-14-7(10)13-8(11)15-9/h2H,1,3-6H2,(H,12,13,14,15).
What are the key properties of N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine?
N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 263.13 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 106405801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).