[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

C11H16N8O — CID 80757297

IUPAC[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESNc1nc(N2CCC(CO)CC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N8O/c12-9-15-10(18-3-1-8(5-20)2-4-18)17-11(16-9)19-7-13-6-14-19/h6-8,20H,1-5H2,(H2,12,15,16,17)
InChIKeyJNRKOHWRUJTVQD-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.76
Rot. Bonds3

About [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol

[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (PubChem CID 80757297) has the molecular formula C11H16N8O and a molecular weight of 276.30 g/mol. Its IUPAC name is [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
PubChem CID80757297
Molecular FormulaC11H16N8O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
SMILESNc1nc(N2CCC(CO)CC2)nc(-n2cncn2)n1
InChIInChI=1S/C11H16N8O/c12-9-15-10(18-3-1-8(5-20)2-4-18)17-11(16-9)19-7-13-6-14-19/h6-8,20H,1-5H2,(H2,12,15,16,17)
InChIKeyJNRKOHWRUJTVQD-UHFFFAOYSA-N
XLogP-0.76
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol (CID 80757297) is [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is Nc1nc(N2CCC(CO)CC2)nc(-n2cncn2)n1.
What is the InChIKey of [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is JNRKOHWRUJTVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N8O/c12-9-15-10(18-3-1-8(5-20)2-4-18)17-11(16-9)19-7-13-6-14-19/h6-8,20H,1-5H2,(H2,12,15,16,17).
What are the key properties of [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol?
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 276.30 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 80757297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).