1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole

C16H15N3O — CID 132514560

IUPAC1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole
SMILESCOc1ccc2c(c1)CCC2n1nnc2ccccc21
InChIInChI=1S/C16H15N3O/c1-20-12-7-8-13-11(10-12)6-9-15(13)19-16-5-3-2-4-14(16)17-18-19/h2-5,7-8,10,15H,6,9H2,1H3
InChIKeyCKPBYBNGYNHYPD-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.98
Rot. Bonds2

About 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole

1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole (PubChem CID 132514560) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole.

Molecular Properties

Compound Name1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole
PubChem CID132514560
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole
SMILESCOc1ccc2c(c1)CCC2n1nnc2ccccc21
InChIInChI=1S/C16H15N3O/c1-20-12-7-8-13-11(10-12)6-9-15(13)19-16-5-3-2-4-14(16)17-18-19/h2-5,7-8,10,15H,6,9H2,1H3
InChIKeyCKPBYBNGYNHYPD-UHFFFAOYSA-N
XLogP2.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-ylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 5184443
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
4-(benzotriazol-1-yl)-N,N-diethyl-2-(4-methoxyphenyl)-4H-chromen-7-amine
CID 10812358
1-(5-methyl-6-phenyl-2,3-dihydro-1H-pyrrolizin-1-yl)benzotriazole
CID 10615178
9-methoxy-2,3,4,4a,6,7,11b,12,13,13a-decahydro-1H-isoquinolino[2,1-a]quinoline
CID 23261897
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
3-(benzotriazol-1-yl)-N-[(2S,3S)-2-(2,4-dimethoxyphenyl)-6-oxopiperidin-3-yl]propanamide
CID 51494811
(1R,2S,10S,13S)-17-methoxy-10-methyl-6,7,8,9-tetrazapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-5,7,14(19),15,17-pentaene
CID 165366822
3-(benzotriazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314241
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole?
The IUPAC name of 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole (CID 132514560) is 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole.
What is the SMILES notation for 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole?
The canonical SMILES for 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole is COc1ccc2c(c1)CCC2n1nnc2ccccc21.
What is the InChIKey of 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole?
The InChIKey is CKPBYBNGYNHYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-20-12-7-8-13-11(10-12)6-9-15(13)19-16-5-3-2-4-14(16)17-18-19/h2-5,7-8,10,15H,6,9H2,1H3.
What are the key properties of 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole?
1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole has a molecular weight of 265.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,3-dihydro-1H-inden-1-yl)benzotriazole is sourced from PubChem (CID 132514560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).