2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine

C12H18ClN5O — CID 62857405

IUPAC2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C12H18ClN5O/c1-2-19-12-15-10(13)14-11(16-12)18-7-5-17(6-8-18)9-3-4-9/h9H,2-8H2,1H3
InChIKeyGRRXYDPVCACAIY-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.21
Rot. Bonds4

About 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine

2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine (PubChem CID 62857405) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
PubChem CID62857405
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C12H18ClN5O/c1-2-19-12-15-10(13)14-11(16-12)18-7-5-17(6-8-18)9-3-4-9/h9H,2-8H2,1H3
InChIKeyGRRXYDPVCACAIY-UHFFFAOYSA-N
XLogP1.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine (CID 62857405) is 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine?
The InChIKey is GRRXYDPVCACAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-2-19-12-15-10(13)14-11(16-12)18-7-5-17(6-8-18)9-3-4-9/h9H,2-8H2,1H3.
What are the key properties of 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine?
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine has a molecular weight of 283.76 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 62857405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).