1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol

C11H14ClN7O — CID 114679678

IUPAC1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(Cl)nc(-n3cncn3)n2)CCC1O
InChIInChI=1S/C11H14ClN7O/c1-7-4-18(3-2-8(7)20)10-15-9(12)16-11(17-10)19-6-13-5-14-19/h5-8,20H,2-4H2,1H3
InChIKeyLODWJBKJJMAWDR-UHFFFAOYSA-N
MW295.73 g/mol
LogP0.31
Rot. Bonds2

About 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol

1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol (PubChem CID 114679678) has the molecular formula C11H14ClN7O and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
PubChem CID114679678
Molecular FormulaC11H14ClN7O
Molecular Weight295.73 g/mol
Exact Mass295.09
IUPAC Name1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2nc(Cl)nc(-n3cncn3)n2)CCC1O
InChIInChI=1S/C11H14ClN7O/c1-7-4-18(3-2-8(7)20)10-15-9(12)16-11(17-10)19-6-13-5-14-19/h5-8,20H,2-4H2,1H3
InChIKeyLODWJBKJJMAWDR-UHFFFAOYSA-N
XLogP0.31
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol with MolForge

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Related Compounds

1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
CID 114679663
1-[1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]ethanol
CID 106836961
2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 106588152
1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822938
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62863885
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971210
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
4-[4-(dimethylamino)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80776233
4-chloro-N,N-diethyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62869350
4-chloro-N-(1-methylpiperidin-3-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 62864589
1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114679717
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol (CID 114679678) is 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol is CC1CN(c2nc(Cl)nc(-n3cncn3)n2)CCC1O.
What is the InChIKey of 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
The InChIKey is LODWJBKJJMAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7O/c1-7-4-18(3-2-8(7)20)10-15-9(12)16-11(17-10)19-6-13-5-14-19/h5-8,20H,2-4H2,1H3.
What are the key properties of 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol?
1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol has a molecular weight of 295.73 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).