[(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C19H26N6O — CID 168678794

IUPAC[(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nnc(C2[C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)C[C@@H]23)n1C1CCC1
InChIInChI=1S/C19H26N6O/c1-10(2)15-7-16(22-21-15)19(26)24-8-13-14(9-24)17(13)18-23-20-11(3)25(18)12-5-4-6-12/h7,10,12-14,17H,4-6,8-9H2,1-3H3,(H,21,22)/t13-,14+,17?
InChIKeyZCQXGIMHFOVPJD-VMZNBEPHSA-N
MW354.46 g/mol
LogP2.64
Rot. Bonds4

About [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 168678794) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID168678794
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nnc(C2[C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)C[C@@H]23)n1C1CCC1
InChIInChI=1S/C19H26N6O/c1-10(2)15-7-16(22-21-15)19(26)24-8-13-14(9-24)17(13)18-23-20-11(3)25(18)12-5-4-6-12/h7,10,12-14,17H,4-6,8-9H2,1-3H3,(H,21,22)/t13-,14+,17?
InChIKeyZCQXGIMHFOVPJD-VMZNBEPHSA-N
XLogP2.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 168678794) is [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1nnc(C2[C@H]3CN(C(=O)c4cc(C(C)C)[nH]n4)C[C@@H]23)n1C1CCC1.
What is the InChIKey of [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZCQXGIMHFOVPJD-VMZNBEPHSA-N. The full InChI is InChI=1S/C19H26N6O/c1-10(2)15-7-16(22-21-15)19(26)24-8-13-14(9-24)17(13)18-23-20-11(3)25(18)12-5-4-6-12/h7,10,12-14,17H,4-6,8-9H2,1-3H3,(H,21,22)/t13-,14+,17?.
What are the key properties of [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 354.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-(4-cyclobutyl-5-methyl-1,2,4-triazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 168678794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).