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

C12H18N8O — CID 80775848

IUPAC[1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCCC(CO)C2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8O/c1-13-10-16-11(19-4-2-3-9(5-19)6-21)18-12(17-10)20-8-14-7-15-20/h7-9,21H,2-6H2,1H3,(H,13,16,17,18)
InChIKeyFJKTXYAGRVQPCR-UHFFFAOYSA-N
MW290.33 g/mol
LogP-0.30
Rot. Bonds4

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

[1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol (PubChem CID 80775848) has the molecular formula C12H18N8O and a molecular weight of 290.33 g/mol. Its IUPAC name is [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
PubChem CID80775848
Molecular FormulaC12H18N8O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name[1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCCC(CO)C2)nc(-n2cncn2)n1
InChIInChI=1S/C12H18N8O/c1-13-10-16-11(19-4-2-3-9(5-19)6-21)18-12(17-10)20-8-14-7-15-20/h7-9,21H,2-6H2,1H3,(H,13,16,17,18)
InChIKeyFJKTXYAGRVQPCR-UHFFFAOYSA-N
XLogP-0.30
TPSA104.88 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80776039
2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 106588152
4-(2,6-dimethylmorpholin-4-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80749453
[1-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-4-yl]methanol
CID 80757297
N-propyl-4-pyrrolidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80766913
4-(2,5-dimethylpiperidin-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80831390
2-[[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 80843254
4-(3-cyclopropylpyrazol-1-yl)-N-methyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80840951
4-N-methyl-2-N-(2-methylcyclopentyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80829419
[1-[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80793310
3-[[methyl-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]methyl]cyclobutan-1-ol
CID 80832039
4-chloro-N-(cyclopentylmethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 55125550

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol (CID 80775848) is [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol is CNc1nc(N2CCCC(CO)C2)nc(-n2cncn2)n1.
What is the InChIKey of [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The InChIKey is FJKTXYAGRVQPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O/c1-13-10-16-11(19-4-2-3-9(5-19)6-21)18-12(17-10)20-8-14-7-15-20/h7-9,21H,2-6H2,1H3,(H,13,16,17,18).
What are the key properties of [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
[1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol has a molecular weight of 290.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 80775848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).