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

C12H17N7O — CID 102971053

IUPAC1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nc(N)nc(-n3ccnc3)n2)CC1O
InChIInChI=1S/C12H17N7O/c1-8-2-4-18(6-9(8)20)11-15-10(13)16-12(17-11)19-5-3-14-7-19/h3,5,7-9,20H,2,4,6H2,1H3,(H2,13,15,16,17)
InChIKeyQXTPYSVSFAVZFM-UHFFFAOYSA-N
MW275.32 g/mol
LogP-0.15
Rot. Bonds2

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

1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (PubChem CID 102971053) has the molecular formula C12H17N7O and a molecular weight of 275.32 g/mol. Its IUPAC name is 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
PubChem CID102971053
Molecular FormulaC12H17N7O
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nc(N)nc(-n3ccnc3)n2)CC1O
InChIInChI=1S/C12H17N7O/c1-8-2-4-18(6-9(8)20)11-15-10(13)16-12(17-11)19-5-3-14-7-19/h3,5,7-9,20H,2,4,6H2,1H3,(H2,13,15,16,17)
InChIKeyQXTPYSVSFAVZFM-UHFFFAOYSA-N
XLogP-0.15
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 5-0.15
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)piperidin-4-ol
CID 80764330
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
CID 102971210
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80823266
2-[1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)piperidin-3-yl]ethanol
CID 107229330
4-(3,4-dimethoxypyrrolidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 103541933
1-[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 80822955
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
4-(2-ethylmorpholin-4-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80787157
4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 80837289
4-(2,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80826985
3-[[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80856191
6-imidazol-1-yl-2-N-[(2-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 107421293

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (CID 102971053) is 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is CC1CCN(c2nc(N)nc(-n3ccnc3)n2)CC1O.
What is the InChIKey of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The InChIKey is QXTPYSVSFAVZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O/c1-8-2-4-18(6-9(8)20)11-15-10(13)16-12(17-11)19-5-3-14-7-19/h3,5,7-9,20H,2,4,6H2,1H3,(H2,13,15,16,17).
What are the key properties of 1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
1-(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol has a molecular weight of 275.32 g/mol, XLogP of -0.15, 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)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).