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

C10H17ClN4O — CID 55135235

IUPAC4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C10H17ClN4O/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3
InChIKeyOEKPTAATYIVFBJ-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.16
Rot. Bonds6

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

4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 55135235) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID55135235
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C10H17ClN4O/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3
InChIKeyOEKPTAATYIVFBJ-UHFFFAOYSA-N
XLogP2.16
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine (CID 55135235) is 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is OEKPTAATYIVFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-4-7-16-10-13-8(11)12-9(14-10)15(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 244.73 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 55135235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).