3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol

C18H24N8O — CID 46984269

IUPAC3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCc1cnn(-c2cc(N3CCC(n4cc(CCCO)nn4)CC3)ncn2)c1
InChIInChI=1S/C18H24N8O/c1-14-10-21-26(11-14)18-9-17(19-13-20-18)24-6-4-16(5-7-24)25-12-15(22-23-25)3-2-8-27/h9-13,16,27H,2-8H2,1H3
InChIKeyJXNVKEVGAUNJRX-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.33
Rot. Bonds6

About 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol

3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol (PubChem CID 46984269) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol
PubChem CID46984269
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCc1cnn(-c2cc(N3CCC(n4cc(CCCO)nn4)CC3)ncn2)c1
InChIInChI=1S/C18H24N8O/c1-14-10-21-26(11-14)18-9-17(19-13-20-18)24-6-4-16(5-7-24)25-12-15(22-23-25)3-2-8-27/h9-13,16,27H,2-8H2,1H3
InChIKeyJXNVKEVGAUNJRX-UHFFFAOYSA-N
XLogP1.33
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol (CID 46984269) is 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol is Cc1cnn(-c2cc(N3CCC(n4cc(CCCO)nn4)CC3)ncn2)c1.
What is the InChIKey of 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol?
The InChIKey is JXNVKEVGAUNJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-14-10-21-26(11-14)18-9-17(19-13-20-18)24-6-4-16(5-7-24)25-12-15(22-23-25)3-2-8-27/h9-13,16,27H,2-8H2,1H3.
What are the key properties of 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol?
3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol has a molecular weight of 368.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 46984269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).