(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

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Related Compounds

[(1R)-1-[(1-benzyl-5-methyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155534083
1-Benzyl-5-Methyl-1H-1,2,3-Triazole-4-Carboxamide
CID 18526204
[1-[(4-Tert-butylphenyl)methyl]triazol-4-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 137648197
N-(4-ethylbenzyl)-6-methyl-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891366
N-[(2,2-dimethyl-1-phenylcyclopropyl)methyl]-N-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]-1H-1,2,3-triazole-4-carboxamide
CID 45169721
(4-benzhydrylpiperazin-1-yl)(1-methyl-1H-1,2,3-triazol-4-yl)methanone
CID 45504267
6-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891375
6-methyl-N-(1-methyl-3-phenylpropyl)-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]pyrazine-3-carboxamide
CID 91891378
3-(4-Cyclohexylpiperazine-1-carbonyl)-6-phenyl-4H,5H-[1,2,3]triazolo[1,5-A]pyrazin-4-one
CID 91891397
6-Methyl-4-oxo-N-(2-phenylpropyl)-4H,5H-[1,2,3]triazolo[1,5-A]pyrazine-3-carboxamide
CID 91908409
(e)-1-(1-Benzyl-5-methyl-1h-1,2,3-triazol-4-yl)-3-phenylprop-2-en-1-one
CID 57498436
1-{[1-(diphenylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}azocane
CID 42240643

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).