5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol

C16H15N5O — CID 129282432

IUPAC5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol
SMILESOC1c2cnnn2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C16H15N5O/c22-16-12(5-6-21-14(16)8-18-19-21)15-11-4-2-1-3-10(11)13-7-17-9-20(13)15/h1-4,7-9,12,15-16,22H,5-6H2
InChIKeyYGWKIFAMRYHTSC-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.80
Rot. Bonds1

About 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol

5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol (PubChem CID 129282432) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol
PubChem CID129282432
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol
SMILESOC1c2cnnn2CCC1C1c2ccccc2-c2cncn21
InChIInChI=1S/C16H15N5O/c22-16-12(5-6-21-14(16)8-18-19-21)15-11-4-2-1-3-10(11)13-7-17-9-20(13)15/h1-4,7-9,12,15-16,22H,5-6H2
InChIKeyYGWKIFAMRYHTSC-UHFFFAOYSA-N
XLogP1.80
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S,5S)-2-amino-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129282959
(4S,5S)-2-(fluoromethyl)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129283251
2-(fluoromethyl)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 129296180
(4S,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-4-ol
CID 137405998
(4R,5S)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
CID 137405827
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(4S,5S)-4-hydroxy-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
CID 129283189
(4R,5R)-4-hydroxy-5-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
CID 129283718
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(7R,8R)-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 129282883
(3S,4S)-4-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methylpiperidin-3-ol
CID 137405937
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542

Frequently Asked Questions

What is the IUPAC name of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol (CID 129282432) is 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol is OC1c2cnnn2CCC1C1c2ccccc2-c2cncn21.
What is the InChIKey of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol?
The InChIKey is YGWKIFAMRYHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-16-12(5-6-21-14(16)8-18-19-21)15-11-4-2-1-3-10(11)13-7-17-9-20(13)15/h1-4,7-9,12,15-16,22H,5-6H2.
What are the key properties of 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol?
5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol has a molecular weight of 293.33 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5H-imidazo[5,1-a]isoindol-5-yl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 129282432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).