1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole

C20H18N4 — CID 10615178

IUPAC1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole
SMILESCc1c(-c2ccccc2)cc2n1CCC2n1nnc2ccccc21
InChIInChI=1S/C20H18N4/c1-14-16(15-7-3-2-4-8-15)13-20-19(11-12-23(14)20)24-18-10-6-5-9-17(18)21-22-24/h2-10,13,19H,11-12H2,1H3
InChIKeyYPAIYTUGCQPRKO-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.20
Rot. Bonds2

About 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole

1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole (PubChem CID 10615178) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole.

Molecular Properties

Compound Name1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole
PubChem CID10615178
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole
SMILESCc1c(-c2ccccc2)cc2n1CCC2n1nnc2ccccc21
InChIInChI=1S/C20H18N4/c1-14-16(15-7-3-2-4-8-15)13-20-19(11-12-23(14)20)24-18-10-6-5-9-17(18)21-22-24/h2-10,13,19H,11-12H2,1H3
InChIKeyYPAIYTUGCQPRKO-UHFFFAOYSA-N
XLogP4.20
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 3771759
1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole
CID 132514560
(6S)-2-(benzotriazol-1-yl)-6-[(4-methylanilino)methyl]cyclohexan-1-one
CID 154708578
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
[(1R,2R)-2-(benzotriazol-1-yl)cyclohexyl]carbamic acid
CID 138597703
1-(8-azabicyclo[3.2.1]octan-3-yl)benzotriazole
CID 147017179
1-[(3S,4R)-2-methyl-3-(4-methylphenyl)-5-phenyl-3,4-dihydropyrazol-4-yl]benzotriazole
CID 40561213
4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide
CID 1469699
3-(2,2-dimethylcyclopropyl)benzotriazole-4-carboxylic acid
CID 112576687
1-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]benzotriazole
CID 652887
(3S)-3-(benzotriazol-1-yl)-2,3-dihydroisoindol-1-one
CID 102207544
2,5-dimethyl-6-phenyl-2,3-dihydro-1H-pyrrolizine
CID 76764460

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole?
The IUPAC name of 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole (CID 10615178) is 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole.
What is the SMILES notation for 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole?
The canonical SMILES for 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole is Cc1c(-c2ccccc2)cc2n1CCC2n1nnc2ccccc21.
What is the InChIKey of 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole?
The InChIKey is YPAIYTUGCQPRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-16(15-7-3-2-4-8-15)13-20-19(11-12-23(14)20)24-18-10-6-5-9-17(18)21-22-24/h2-10,13,19H,11-12H2,1H3.
What are the key properties of 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole?
1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole has a molecular weight of 314.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole is sourced from PubChem (CID 10615178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).