1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol

C14H20ClN5O — CID 88559171

IUPAC1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(n2nnc3cc(Cl)ncc32)CC1
InChIInChI=1S/C14H20ClN5O/c1-14(2,21)9-19-5-3-10(4-6-19)20-12-8-16-13(15)7-11(12)17-18-20/h7-8,10,21H,3-6,9H2,1-2H3
InChIKeyJQJOAJPESWNARF-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.89
Rot. Bonds3

About 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol

1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol (PubChem CID 88559171) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol
PubChem CID88559171
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCC(n2nnc3cc(Cl)ncc32)CC1
InChIInChI=1S/C14H20ClN5O/c1-14(2,21)9-19-5-3-10(4-6-19)20-12-8-16-13(15)7-11(12)17-18-20/h7-8,10,21H,3-6,9H2,1-2H3
InChIKeyJQJOAJPESWNARF-UHFFFAOYSA-N
XLogP1.89
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol (CID 88559171) is 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCC(n2nnc3cc(Cl)ncc32)CC1.
What is the InChIKey of 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol?
The InChIKey is JQJOAJPESWNARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-14(2,21)9-19-5-3-10(4-6-19)20-12-8-16-13(15)7-11(12)17-18-20/h7-8,10,21H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol?
1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol has a molecular weight of 309.80 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chlorotriazolo[4,5-c]pyridin-3-yl)piperidin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 88559171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).