[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol

C15H22N6O — CID 164641682

IUPAC[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
SMILESCC(C)c1nccc(N2CCC[C@H](n3cc(CO)nn3)C2)n1
InChIInChI=1S/C15H22N6O/c1-11(2)15-16-6-5-14(17-15)20-7-3-4-13(9-20)21-8-12(10-22)18-19-21/h5-6,8,11,13,22H,3-4,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyYUUPXWPAEVJBOE-ZDUSSCGKSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds4

About [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol

[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol (PubChem CID 164641682) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
PubChem CID164641682
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
SMILESCC(C)c1nccc(N2CCC[C@H](n3cc(CO)nn3)C2)n1
InChIInChI=1S/C15H22N6O/c1-11(2)15-16-6-5-14(17-15)20-7-3-4-13(9-20)21-8-12(10-22)18-19-21/h5-6,8,11,13,22H,3-4,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeyYUUPXWPAEVJBOE-ZDUSSCGKSA-N
XLogP1.53
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol?
The IUPAC name of [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol (CID 164641682) is [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol is CC(C)c1nccc(N2CCC[C@H](n3cc(CO)nn3)C2)n1.
What is the InChIKey of [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol?
The InChIKey is YUUPXWPAEVJBOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N6O/c1-11(2)15-16-6-5-14(17-15)20-7-3-4-13(9-20)21-8-12(10-22)18-19-21/h5-6,8,11,13,22H,3-4,7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol?
[1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol has a molecular weight of 302.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol is sourced from PubChem (CID 164641682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).