(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone

C19H24N4O — CID 129347762

IUPAC(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1c(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)nnn1C
InChIInChI=1S/C19H24N4O/c1-14-16(20-21-22(14)2)18(24)23-13-19(11-7-4-8-12-19)17(23)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3/t17-/m1/s1
InChIKeyPJBKGABLRMCXOR-QGZVFWFLSA-N
MW324.43 g/mol
LogP3.27
Rot. Bonds2

About (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone

(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 129347762) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
PubChem CID129347762
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
SMILESCc1c(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)nnn1C
InChIInChI=1S/C19H24N4O/c1-14-16(20-21-22(14)2)18(24)23-13-19(11-7-4-8-12-19)17(23)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3/t17-/m1/s1
InChIKeyPJBKGABLRMCXOR-QGZVFWFLSA-N
XLogP3.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-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 (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone?
The IUPAC name of (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone (CID 129347762) is (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone.
What is the SMILES notation for (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone?
The canonical SMILES for (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1c(C(=O)N2CC3(CCCCC3)[C@H]2c2ccccc2)nnn1C.
What is the InChIKey of (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone?
The InChIKey is PJBKGABLRMCXOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-16(20-21-22(14)2)18(24)23-13-19(11-7-4-8-12-19)17(23)15-9-5-3-6-10-15/h3,5-6,9-10,17H,4,7-8,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone?
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 129347762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).