1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol

C16H16N4O — CID 107681897

IUPAC1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NCc1nnc2ccccn12
InChIInChI=1S/C16H16N4O/c21-12-5-6-13-11(9-12)4-7-14(13)17-10-16-19-18-15-3-1-2-8-20(15)16/h1-3,5-6,8-9,14,17,21H,4,7,10H2
InChIKeyIFUADQAZMPWOEB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.21
Rot. Bonds3

About 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol

1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol (PubChem CID 107681897) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
PubChem CID107681897
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol
SMILESOc1ccc2c(c1)CCC2NCc1nnc2ccccn12
InChIInChI=1S/C16H16N4O/c21-12-5-6-13-11(9-12)4-7-14(13)17-10-16-19-18-15-3-1-2-8-20(15)16/h1-3,5-6,8-9,14,17,21H,4,7,10H2
InChIKeyIFUADQAZMPWOEB-UHFFFAOYSA-N
XLogP2.21
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol with MolForge

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Related Compounds

N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43203679
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466013
1-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682234
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-[2-(3-methylphenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682315
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
1-[2-(1,3-thiazol-4-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682370
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168

Frequently Asked Questions

What is the IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol (CID 107681897) is 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol is Oc1ccc2c(c1)CCC2NCc1nnc2ccccn12.
What is the InChIKey of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
The InChIKey is IFUADQAZMPWOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c21-12-5-6-13-11(9-12)4-7-14(13)17-10-16-19-18-15-3-1-2-8-20(15)16/h1-3,5-6,8-9,14,17,21H,4,7,10H2.
What are the key properties of 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol?
1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol has a molecular weight of 280.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 107681897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).