1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol

C8H14N6O — CID 53422126

IUPAC1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESNc1nc(N)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C8H14N6O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2,(H4,9,10,11,12,13)
InChIKeyQKSQXWRXONQWHV-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.00
Rot. Bonds1

About 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol

1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol (PubChem CID 53422126) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol
PubChem CID53422126
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESNc1nc(N)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C8H14N6O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2,(H4,9,10,11,12,13)
InChIKeyQKSQXWRXONQWHV-UHFFFAOYSA-N
XLogP-1.00
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol (CID 53422126) is 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol is Nc1nc(N)nc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol?
The InChIKey is QKSQXWRXONQWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-6-11-7(10)13-8(12-6)14-3-1-5(15)2-4-14/h5,15H,1-4H2,(H4,9,10,11,12,13).
What are the key properties of 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol?
1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol has a molecular weight of 210.24 g/mol, XLogP of -1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diamino-1,3,5-triazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 53422126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).