(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol

C17H30N6O2 — CID 133486119

IUPAC(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(C[C@@H](C)O)CC2)n1
InChIInChI=1S/C17H30N6O2/c1-14(24)13-21-9-11-23(12-10-21)16-18-15(19-17(20-16)25-2)22-7-5-3-4-6-8-22/h14,24H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyNJDLSTURFGOKCE-CQSZACIVSA-N
MW350.47 g/mol
LogP0.76
Rot. Bonds5

About (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol

(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 133486119) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID133486119
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol
SMILESCOc1nc(N2CCCCCC2)nc(N2CCN(C[C@@H](C)O)CC2)n1
InChIInChI=1S/C17H30N6O2/c1-14(24)13-21-9-11-23(12-10-21)16-18-15(19-17(20-16)25-2)22-7-5-3-4-6-8-22/h14,24H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyNJDLSTURFGOKCE-CQSZACIVSA-N
XLogP0.76
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol (CID 133486119) is (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol is COc1nc(N2CCCCCC2)nc(N2CCN(C[C@@H](C)O)CC2)n1.
What is the InChIKey of (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is NJDLSTURFGOKCE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-14(24)13-21-9-11-23(12-10-21)16-18-15(19-17(20-16)25-2)22-7-5-3-4-6-8-22/h14,24H,3-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol?
(2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 350.47 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[4-(azepan-1-yl)-6-methoxy-1,3,5-triazin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133486119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).