3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C17H24N6O — CID 91771160

IUPAC3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CCC(c3nncn3C)CC2)n1
InChIInChI=1S/C17H24N6O/c1-11-19-15(13-7-14(24)8-13)9-16(20-11)23-5-3-12(4-6-23)17-21-18-10-22(17)2/h9-10,12-14,24H,3-8H2,1-2H3
InChIKeyXTPQLMMMVWXCSQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.54
Rot. Bonds3

About 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91771160) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91771160
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(C2CC(O)C2)cc(N2CCC(c3nncn3C)CC2)n1
InChIInChI=1S/C17H24N6O/c1-11-19-15(13-7-14(24)8-13)9-16(20-11)23-5-3-12(4-6-23)17-21-18-10-22(17)2/h9-10,12-14,24H,3-8H2,1-2H3
InChIKeyXTPQLMMMVWXCSQ-UHFFFAOYSA-N
XLogP1.54
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91771160) is 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(C2CC(O)C2)cc(N2CCC(c3nncn3C)CC2)n1.
What is the InChIKey of 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is XTPQLMMMVWXCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-19-15(13-7-14(24)8-13)9-16(20-11)23-5-3-12(4-6-23)17-21-18-10-22(17)2/h9-10,12-14,24H,3-8H2,1-2H3.
What are the key properties of 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 328.42 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91771160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).