4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one

C10H14ClN5O2 — CID 55124529

IUPAC4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one
SMILESCCCOc1nc(Cl)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H14ClN5O2/c1-2-5-18-10-14-8(11)13-9(15-10)16-4-3-12-7(17)6-16/h2-6H2,1H3,(H,12,17)
InChIKeyGYPTYLSZKJWSEU-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.25
Rot. Bonds4

About 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one

4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one (PubChem CID 55124529) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one
PubChem CID55124529
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one
SMILESCCCOc1nc(Cl)nc(N2CCNC(=O)C2)n1
InChIInChI=1S/C10H14ClN5O2/c1-2-5-18-10-14-8(11)13-9(15-10)16-4-3-12-7(17)6-16/h2-6H2,1H3,(H,12,17)
InChIKeyGYPTYLSZKJWSEU-UHFFFAOYSA-N
XLogP0.25
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one (CID 55124529) is 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one is CCCOc1nc(Cl)nc(N2CCNC(=O)C2)n1.
What is the InChIKey of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one?
The InChIKey is GYPTYLSZKJWSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-2-5-18-10-14-8(11)13-9(15-10)16-4-3-12-7(17)6-16/h2-6H2,1H3,(H,12,17).
What are the key properties of 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one?
4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one has a molecular weight of 271.71 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperazin-2-one is sourced from PubChem (CID 55124529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).