[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C17H26N6O2 — CID 129484034

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C17H26N6O2/c1-11(2)23-9-14(18-20-23)17(25)7-6-8-22(10-17)16(24)15-12(3)19-21(5)13(15)4/h9,11,25H,6-8,10H2,1-5H3/t17-/m1/s1
InChIKeyYLHQYNDHODRVNV-QGZVFWFLSA-N
MW346.44 g/mol
LogP1.33
Rot. Bonds3

About [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 129484034) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID129484034
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C17H26N6O2/c1-11(2)23-9-14(18-20-23)17(25)7-6-8-22(10-17)16(24)15-12(3)19-21(5)13(15)4/h9,11,25H,6-8,10H2,1-5H3/t17-/m1/s1
InChIKeyYLHQYNDHODRVNV-QGZVFWFLSA-N
XLogP1.33
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone 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 [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 129484034) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCC[C@](O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is YLHQYNDHODRVNV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-11(2)23-9-14(18-20-23)17(25)7-6-8-22(10-17)16(24)15-12(3)19-21(5)13(15)4/h9,11,25H,6-8,10H2,1-5H3/t17-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 346.44 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 129484034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).