5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol

C17H23N5O2 — CID 171353376

IUPAC5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)nc2C)c(O)c1
InChIInChI=1S/C17H23N5O2/c1-11-16(14-7-6-13(24-3)9-15(14)23)20-21-17(18-11)19-12-5-4-8-22(2)10-12/h6-7,9,12,23H,4-5,8,10H2,1-3H3,(H,18,19,21)/t12-/m1/s1
InChIKeyXWHBXDQVWFGBIE-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.07
Rot. Bonds4

About 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol

5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 171353376) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
PubChem CID171353376
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol
SMILESCOc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)nc2C)c(O)c1
InChIInChI=1S/C17H23N5O2/c1-11-16(14-7-6-13(24-3)9-15(14)23)20-21-17(18-11)19-12-5-4-8-22(2)10-12/h6-7,9,12,23H,4-5,8,10H2,1-3H3,(H,18,19,21)/t12-/m1/s1
InChIKeyXWHBXDQVWFGBIE-GFCCVEGCSA-N
XLogP2.07
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol (CID 171353376) is 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol is COc1ccc(-c2nnc(N[C@@H]3CCCN(C)C3)nc2C)c(O)c1.
What is the InChIKey of 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is XWHBXDQVWFGBIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11-16(14-7-6-13(24-3)9-15(14)23)20-21-17(18-11)19-12-5-4-8-22(2)10-12/h6-7,9,12,23H,4-5,8,10H2,1-3H3,(H,18,19,21)/t12-/m1/s1.
What are the key properties of 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol?
5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 329.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[5-methyl-3-[[(3R)-1-methylpiperidin-3-yl]amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 171353376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).