6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol

C19H20FN5O — CID 166971660

IUPAC6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol
SMILESCN(c1ncc(-c2cc3ccncc3cc2O)nn1)[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C19H20FN5O/c1-25(17-5-3-2-4-15(17)20)19-22-11-16(23-24-19)14-8-12-6-7-21-10-13(12)9-18(14)26/h6-11,15,17,26H,2-5H2,1H3/t15-,17-/m1/s1
InChIKeyRRNVXQRQCBHAIV-NVXWUHKLSA-N
MW353.40 g/mol
LogP3.51
Rot. Bonds3

About 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol

6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol (PubChem CID 166971660) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol.

Molecular Properties

Compound Name6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol
PubChem CID166971660
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol
SMILESCN(c1ncc(-c2cc3ccncc3cc2O)nn1)[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C19H20FN5O/c1-25(17-5-3-2-4-15(17)20)19-22-11-16(23-24-19)14-8-12-6-7-21-10-13(12)9-18(14)26/h6-11,15,17,26H,2-5H2,1H3/t15-,17-/m1/s1
InChIKeyRRNVXQRQCBHAIV-NVXWUHKLSA-N
XLogP3.51
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol?
The IUPAC name of 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol (CID 166971660) is 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol.
What is the SMILES notation for 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol?
The canonical SMILES for 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol is CN(c1ncc(-c2cc3ccncc3cc2O)nn1)[C@@H]1CCCC[C@H]1F.
What is the InChIKey of 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol?
The InChIKey is RRNVXQRQCBHAIV-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-25(17-5-3-2-4-15(17)20)19-22-11-16(23-24-19)14-8-12-6-7-21-10-13(12)9-18(14)26/h6-11,15,17,26H,2-5H2,1H3/t15-,17-/m1/s1.
What are the key properties of 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol?
6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol has a molecular weight of 353.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[(1R,2R)-2-fluorocyclohexyl]-methylamino]-1,2,4-triazin-6-yl]isoquinolin-7-ol is sourced from PubChem (CID 166971660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).