(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

C17H21N5O — CID 166244451

IUPAC(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)C1CN(C(=O)c2nc3n(n2)CCCN3)c2ccccc21
InChIInChI=1S/C17H21N5O/c1-11(2)13-10-21(14-7-4-3-6-12(13)14)16(23)15-19-17-18-8-5-9-22(17)20-15/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCLQYPSKWFKKUNE-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.49
Rot. Bonds2

About (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (PubChem CID 166244451) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
PubChem CID166244451
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
SMILESCC(C)C1CN(C(=O)c2nc3n(n2)CCCN3)c2ccccc21
InChIInChI=1S/C17H21N5O/c1-11(2)13-10-21(14-7-4-3-6-12(13)14)16(23)15-19-17-18-8-5-9-22(17)20-15/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCLQYPSKWFKKUNE-UHFFFAOYSA-N
XLogP2.49
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone with MolForge

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Related Compounds

1,3-oxazol-2-yl-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 126830105
[5-(difluoromethoxy)-1-methylpyrazol-3-yl]-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]methanone
CID 129479738
N-(2-methylpyrimidin-5-yl)-3-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 128612323
[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-(3-propan-2-yl-2,3-dihydroindol-1-yl)methanone
CID 166272815
3-[2-oxo-2-[(3R)-3-propan-2-yl-2,3-dihydroindol-1-yl]ethyl]sulfanyl-1,4-dihydro-1,2,4-triazol-5-one
CID 137204470
(6,6-difluoro-1,4-oxazepan-4-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 138035497
N-[(1R,3S)-3-(dimethylamino)cyclopentyl]-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 138002867
4-[1-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]benzonitrile
CID 154794995
ethane;1-methyl-3-propan-2-yl-2,3-dihydroindole
CID 177010741
1-[3-(1-methylsulfonylethyl)-2,3-dihydroindol-1-yl]ethanone
CID 18435668
(5-propyl-1H-1,2,4-triazol-3-yl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 115311107
1-(1-methylpyrazol-3-yl)sulfonyl-3-propan-2-yl-2,3-dihydroindole
CID 136537139

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The IUPAC name of (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone (CID 166244451) is (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone.
What is the SMILES notation for (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The canonical SMILES for (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is CC(C)C1CN(C(=O)c2nc3n(n2)CCCN3)c2ccccc21.
What is the InChIKey of (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
The InChIKey is CLQYPSKWFKKUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(2)13-10-21(14-7-4-3-6-12(13)14)16(23)15-19-17-18-8-5-9-22(17)20-15/h3-4,6-7,11,13H,5,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone?
(3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone has a molecular weight of 311.39 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-2,3-dihydroindol-1-yl)-(4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone is sourced from PubChem (CID 166244451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).