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

C13H19N7O — CID 80776039

IUPAC[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCCC(CO)C2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7O/c1-14-11-16-12(19-6-2-4-10(8-19)9-21)18-13(17-11)20-7-3-5-15-20/h3,5,7,10,21H,2,4,6,8-9H2,1H3,(H,14,16,17,18)
InChIKeyDFWVQLIDVCNCPM-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.31
Rot. Bonds4

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

[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol (PubChem CID 80776039) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
PubChem CID80776039
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCCC(CO)C2)nc(-n2cccn2)n1
InChIInChI=1S/C13H19N7O/c1-14-11-16-12(19-6-2-4-10(8-19)9-21)18-13(17-11)20-7-3-5-15-20/h3,5,7,10,21H,2,4,6,8-9H2,1H3,(H,14,16,17,18)
InChIKeyDFWVQLIDVCNCPM-UHFFFAOYSA-N
XLogP0.31
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[1-[4-(methylamino)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperidin-3-yl]methanol
CID 80775848
2-chloro-4-(3-ethylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 62862834
N-methyl-4-(4-methylpiperazin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80767498
4-methyl-1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-4-ol
CID 81109328
4-(2-ethylpiperidin-1-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80770964
4-(2-cyclobutylethoxy)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 106207686
4-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperazin-2-one
CID 80764992
4-N-methyl-2-N-(oxolan-3-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80823144
[1-(5-amino-6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133366202
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
[1-[[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 80802661

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol (CID 80776039) is [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol is CNc1nc(N2CCCC(CO)C2)nc(-n2cccn2)n1.
What is the InChIKey of [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
The InChIKey is DFWVQLIDVCNCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-14-11-16-12(19-6-2-4-10(8-19)9-21)18-13(17-11)20-7-3-5-15-20/h3,5,7,10,21H,2,4,6,8-9H2,1H3,(H,14,16,17,18).
What are the key properties of [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol?
[1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol has a molecular weight of 289.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 80776039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).