1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol

C9H12Cl2N4O — CID 102963145

IUPAC1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nc(Cl)nnc2Cl)CC1O
InChIInChI=1S/C9H12Cl2N4O/c1-5-2-3-15(4-6(5)16)8-7(10)13-14-9(11)12-8/h5-6,16H,2-4H2,1H3
InChIKeyHRSPOBFAKFOHHH-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.39
Rot. Bonds1

About 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol

1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol (PubChem CID 102963145) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol
PubChem CID102963145
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nc(Cl)nnc2Cl)CC1O
InChIInChI=1S/C9H12Cl2N4O/c1-5-2-3-15(4-6(5)16)8-7(10)13-14-9(11)12-8/h5-6,16H,2-4H2,1H3
InChIKeyHRSPOBFAKFOHHH-UHFFFAOYSA-N
XLogP1.39
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-5-(3,4-dimethylpiperazin-1-yl)-1,2,4-triazine
CID 81036781
3,6-dichloro-5-(4-propan-2-ylpiperidin-1-yl)-1,2,4-triazine
CID 103500970
1-(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963130
1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
CID 81037157
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971210
1-(6-chloro-5-ethylpyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963157
6-(3,6-dichloro-1,2,4-triazin-5-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200530
1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114679717
[4-(3,6-dichloro-1,2,4-triazin-5-yl)-6-methylmorpholin-2-yl]methanol
CID 102933968
1-(2-tert-butyl-6-chloropyrimidin-4-yl)-4-methylpiperidin-3-ol
CID 102963119
6-(3-hydroxy-4-methylpiperidin-1-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 103896220

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol (CID 102963145) is 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol is CC1CCN(c2nc(Cl)nnc2Cl)CC1O.
What is the InChIKey of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol?
The InChIKey is HRSPOBFAKFOHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O/c1-5-2-3-15(4-6(5)16)8-7(10)13-14-9(11)12-8/h5-6,16H,2-4H2,1H3.
What are the key properties of 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol?
1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol has a molecular weight of 263.13 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dichloro-1,2,4-triazin-5-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102963145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).