5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol

C21H25N7O — CID 156887408

IUPAC5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
SMILESCc1cncc(-c2ccc(-c3cnc(N4CCN[C@@H](C(C)C)C4)nn3)c(O)c2)n1
InChIInChI=1S/C21H25N7O/c1-13(2)19-12-28(7-6-23-19)21-24-11-18(26-27-21)16-5-4-15(8-20(16)29)17-10-22-9-14(3)25-17/h4-5,8-11,13,19,23,29H,6-7,12H2,1-3H3/t19-/m1/s1
InChIKeyFHKFKHZFSIEPAS-LJQANCHMSA-N
MW391.48 g/mol
LogP2.44
Rot. Bonds4

About 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol

5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol (PubChem CID 156887408) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
PubChem CID156887408
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
SMILESCc1cncc(-c2ccc(-c3cnc(N4CCN[C@@H](C(C)C)C4)nn3)c(O)c2)n1
InChIInChI=1S/C21H25N7O/c1-13(2)19-12-28(7-6-23-19)21-24-11-18(26-27-21)16-5-4-15(8-20(16)29)17-10-22-9-14(3)25-17/h4-5,8-11,13,19,23,29H,6-7,12H2,1-3H3/t19-/m1/s1
InChIKeyFHKFKHZFSIEPAS-LJQANCHMSA-N
XLogP2.44
TPSA99.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(6-methylpyrimidin-4-yl)-2-[3-(3-propan-2-ylpiperazin-1-yl)-1,2,4-triazin-6-yl]phenol;dihydrochloride
CID 156887348
5-(2-methyltriazol-4-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol;dihydrochloride
CID 156887428
5-(2,7-dimethylindazol-5-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol
CID 156887542
2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-([1,2,4]triazolo[1,5-a]pyrazin-6-yl)phenol;dihydrochloride
CID 156887678
2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol
CID 156887364
2-[3-hydroxy-4-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenyl]-1,3-thiazole-4-carbonitrile
CID 156887720
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-[4-(methylamino)phenyl]phenol;dihydrochloride
CID 156887828
2-[3-[(3S)-3-cyclopropylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(1-methylpyrazol-4-yl)phenol;dihydrochloride
CID 167441409
2-[3-(3-cyclopropylpiperazin-1-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 156887525
2-[3-[(3R,5S)-3-methyl-5-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(1,2,4-thiadiazol-3-yl)phenol
CID 170043172
[2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl] 2,2,2-trifluoroacetate
CID 167441422
2-[3-[(3S)-3-tert-butylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-[6-(trideuteriomethoxy)pyrimidin-4-yl]phenol;dihydrochloride
CID 175833555

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol (CID 156887408) is 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol is Cc1cncc(-c2ccc(-c3cnc(N4CCN[C@@H](C(C)C)C4)nn3)c(O)c2)n1.
What is the InChIKey of 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
The InChIKey is FHKFKHZFSIEPAS-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N7O/c1-13(2)19-12-28(7-6-23-19)21-24-11-18(26-27-21)16-5-4-15(8-20(16)29)17-10-22-9-14(3)25-17/h4-5,8-11,13,19,23,29H,6-7,12H2,1-3H3/t19-/m1/s1.
What are the key properties of 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol?
5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol has a molecular weight of 391.48 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylpyrazin-2-yl)-2-[3-[(3S)-3-propan-2-ylpiperazin-1-yl]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 156887408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).