1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

C16H23N5 — CID 102661459

IUPAC1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2Cc1ncnn1C(C)C
InChIInChI=1S/C16H23N5/c1-11(2)21-16(18-10-19-21)9-20-7-6-14-8-13(12(3)17)4-5-15(14)20/h4-5,8,10-12H,6-7,9,17H2,1-3H3
InChIKeyUEKLYSQHWWMKOX-UHFFFAOYSA-N
MW285.40 g/mol
LogP2.44
Rot. Bonds4

About 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine

1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (PubChem CID 102661459) has the molecular formula C16H23N5 and a molecular weight of 285.40 g/mol. Its IUPAC name is 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
PubChem CID102661459
Molecular FormulaC16H23N5
Molecular Weight285.40 g/mol
Exact Mass285.20
IUPAC Name1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
SMILESCC(N)c1ccc2c(c1)CCN2Cc1ncnn1C(C)C
InChIInChI=1S/C16H23N5/c1-11(2)21-16(18-10-19-21)9-20-7-6-14-8-13(12(3)17)4-5-15(14)20/h4-5,8,10-12H,6-7,9,17H2,1-3H3
InChIKeyUEKLYSQHWWMKOX-UHFFFAOYSA-N
XLogP2.44
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine with MolForge

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Related Compounds

5-methyl-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-6-amine
CID 83212369
1-[1-[(2,6-dimethylphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661613
1-[1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 107040763
1-[1-(pyrimidin-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661948
1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336736
1-[1-(cyclohexylmethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661602
1-[1-[(3-methoxyphenyl)methyl]-2,3-dihydroindol-5-yl]ethanamine
CID 102661581
1-[1-(2-phenoxyethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661495
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999613
1-[1-[(5-methyl-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102880183

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The IUPAC name of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine (CID 102661459) is 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The canonical SMILES for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is CC(N)c1ccc2c(c1)CCN2Cc1ncnn1C(C)C.
What is the InChIKey of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
The InChIKey is UEKLYSQHWWMKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-11(2)21-16(18-10-19-21)9-20-7-6-14-8-13(12(3)17)4-5-15(14)20/h4-5,8,10-12H,6-7,9,17H2,1-3H3.
What are the key properties of 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine?
1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine has a molecular weight of 285.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindol-5-yl]ethanamine is sourced from PubChem (CID 102661459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).