2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone

C16H13N5O — CID 25466745

IUPAC2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1-n1cncn1)N1CCc2ccccc21
InChIInChI=1S/C16H13N5O/c22-16(20-9-7-12-4-1-2-6-14(12)20)13-5-3-8-18-15(13)21-11-17-10-19-21/h1-6,8,10-11H,7,9H2
InChIKeyIJIHPGDIAXCFKB-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.87
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone (PubChem CID 25466745) has the molecular formula C16H13N5O and a molecular weight of 291.31 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
PubChem CID25466745
Molecular FormulaC16H13N5O
Molecular Weight291.31 g/mol
Exact Mass291.11
IUPAC Name2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1-n1cncn1)N1CCc2ccccc21
InChIInChI=1S/C16H13N5O/c22-16(20-9-7-12-4-1-2-6-14(12)20)13-5-3-8-18-15(13)21-11-17-10-19-21/h1-6,8,10-11H,7,9H2
InChIKeyIJIHPGDIAXCFKB-UHFFFAOYSA-N
XLogP1.87
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51093174
2,3-dihydroindol-1-yl-[2-[3-(1-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methanone
CID 133397709
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
CID 37200701
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
2,3-dihydroindol-1-yl(imidazo[1,2-a]pyridin-8-yl)methanone
CID 110704438
2,3-dihydroindol-1-yl-[2-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]methanone
CID 133356141
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
2-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 24696176
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
cyclopentyl-[3-[[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]methanone
CID 133366904
[2-[(4-bromophenyl)methylamino]-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 133320455

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone (CID 25466745) is 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone is O=C(c1cccnc1-n1cncn1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone?
The InChIKey is IJIHPGDIAXCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O/c22-16(20-9-7-12-4-1-2-6-14(12)20)13-5-3-8-18-15(13)21-11-17-10-19-21/h1-6,8,10-11H,7,9H2.
What are the key properties of 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone has a molecular weight of 291.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 25466745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).