3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H16N4O — CID 116532675

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNC1CCc2nnc(-c3ccc4c(c3)CCO4)n2C1
InChIInChI=1S/C14H16N4O/c15-11-2-4-13-16-17-14(18(13)8-11)10-1-3-12-9(7-10)5-6-19-12/h1,3,7,11H,2,4-6,8,15H2
InChIKeySMHLAZQOOURKGM-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.15
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 116532675) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID116532675
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESNC1CCc2nnc(-c3ccc4c(c3)CCO4)n2C1
InChIInChI=1S/C14H16N4O/c15-11-2-4-13-16-17-14(18(13)8-11)10-1-3-12-9(7-10)5-6-19-12/h1,3,7,11H,2,4-6,8,15H2
InChIKeySMHLAZQOOURKGM-UHFFFAOYSA-N
XLogP1.15
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Related Compounds

3-bromo-1-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-amine
CID 84609820
3-naphthalen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532698
3-(2,3-dihydro-1-benzofuran-5-yl)cyclohept-2-en-1-amine
CID 107383052
2-(3-aminopyrrolidin-1-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 63068559
3-(1-adamantyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,2,4-triazole
CID 59656197
7-chloro-3-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 65428831
3-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 116532654
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-5-yl)pyrimidin-4-amine
CID 104544998
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)azetidin-3-amine
CID 65244917
(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
CID 59341805
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-amine
CID 43556396

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 116532675) is 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is NC1CCc2nnc(-c3ccc4c(c3)CCO4)n2C1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is SMHLAZQOOURKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-11-2-4-13-16-17-14(18(13)8-11)10-1-3-12-9(7-10)5-6-19-12/h1,3,7,11H,2,4-6,8,15H2.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 256.31 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 116532675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).