4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine

C11H17ClN4O — CID 62869784

IUPAC4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C11H17ClN4O/c1-4-7-8-17-11-14-9(12)13-10(15-11)16(5-2)6-3/h4H,1,5-8H2,2-3H3
InChIKeyJURRLTNZMVHKIB-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.33
Rot. Bonds7

About 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine

4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62869784) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62869784
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C11H17ClN4O/c1-4-7-8-17-11-14-9(12)13-10(15-11)16(5-2)6-3/h4H,1,5-8H2,2-3H3
InChIKeyJURRLTNZMVHKIB-UHFFFAOYSA-N
XLogP2.33
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.33
H-Bond Donors ≤ 50
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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Related Compounds

4-chloro-6-methoxy-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 20452222
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
4-chloro-N,N-diethyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 15926246
4-(4-But-3-enoxy-6-chloro-1,3,5-triazin-2-yl)morpholine
CID 55124289
4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine
CID 55135235
2-But-3-enoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62869611
2-But-3-enoxy-4-chloro-6-piperidin-1-yl-1,3,5-triazine
CID 62869612
4-but-3-enoxy-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62869613
4-but-2-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 76951033
4-chloro-N,N-diethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 79112951
2-Chloro-4-pent-4-enoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 79113919
4-chloro-N,N-dimethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 79114214

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine (CID 62869784) is 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine is C=CCCOc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is JURRLTNZMVHKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-4-7-8-17-11-14-9(12)13-10(15-11)16(5-2)6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).