4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine

C9H13ClN4O — CID 80867945

IUPAC4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C9H13ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h4H,2-3,5-6H2,1H3,(H,11,12,13,14)
InChIKeyGBLYDJPBPSMWNC-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.91
Rot. Bonds6

About 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80867945) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80867945
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C9H13ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h4H,2-3,5-6H2,1H3,(H,11,12,13,14)
InChIKeyGBLYDJPBPSMWNC-UHFFFAOYSA-N
XLogP1.91
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-chloro-6-[2-(dimethylamino)ethoxy]-N-propyl-1,3,5-triazin-2-amine
CID 80870973
2-chloro-4-ethoxy-6-prop-2-enoxy-1,3,5-triazine
CID 62857200
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
4-chloro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 102723608
4-chloro-6-(oxan-4-ylmethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879481
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
4-chloro-6-cyclopentyloxy-N-propyl-1,3,5-triazin-2-amine
CID 80861079

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine (CID 80867945) is 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine is C=CCOc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is GBLYDJPBPSMWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-3-5-11-8-12-7(10)13-9(14-8)15-6-4-2/h4H,2-3,5-6H2,1H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 228.68 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).