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

C11H15N7O — CID 80764330

IUPAC1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESNc1nc(N2CCC(O)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H15N7O/c12-9-14-10(17-4-1-8(19)2-5-17)16-11(15-9)18-6-3-13-7-18/h3,6-8,19H,1-2,4-5H2,(H2,12,14,15,16)
InChIKeyNHZIMGUIUQPRKD-UHFFFAOYSA-N
MW261.29 g/mol
LogP-0.40
Rot. Bonds2

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

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol (PubChem CID 80764330) has the molecular formula C11H15N7O and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
PubChem CID80764330
Molecular FormulaC11H15N7O
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
SMILESNc1nc(N2CCC(O)CC2)nc(-n2ccnc2)n1
InChIInChI=1S/C11H15N7O/c12-9-14-10(17-4-1-8(19)2-5-17)16-11(15-9)18-6-3-13-7-18/h3,6-8,19H,1-2,4-5H2,(H2,12,14,15,16)
InChIKeyNHZIMGUIUQPRKD-UHFFFAOYSA-N
XLogP-0.40
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971053
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 103541933
4-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855886
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80826985
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80787157
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
4-(2-ethylpyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80798127

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol?
The IUPAC name of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol (CID 80764330) is 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol.
What is the SMILES notation for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol?
The canonical SMILES for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol is Nc1nc(N2CCC(O)CC2)nc(-n2ccnc2)n1.
What is the InChIKey of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol?
The InChIKey is NHZIMGUIUQPRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O/c12-9-14-10(17-4-1-8(19)2-5-17)16-11(15-9)18-6-3-13-7-18/h3,6-8,19H,1-2,4-5H2,(H2,12,14,15,16).
What are the key properties of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol?
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol has a molecular weight of 261.29 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol is sourced from PubChem (CID 80764330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).