2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone

C14H14N6O — CID 154861032

IUPAC2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCCc2n[nH]nc21
InChIInChI=1S/C14H14N6O/c21-13(19-7-3-5-11-14(19)17-18-16-11)9-20-12-6-2-1-4-10(12)8-15-20/h1-2,4,6,8H,3,5,7,9H2,(H,16,17,18)
InChIKeyJXYZBKLALIPNAW-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.13
Rot. Bonds2

About 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone

2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone (PubChem CID 154861032) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
PubChem CID154861032
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCCc2n[nH]nc21
InChIInChI=1S/C14H14N6O/c21-13(19-7-3-5-11-14(19)17-18-16-11)9-20-12-6-2-1-4-10(12)8-15-20/h1-2,4,6,8H,3,5,7,9H2,(H,16,17,18)
InChIKeyJXYZBKLALIPNAW-UHFFFAOYSA-N
XLogP1.13
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone
CID 130671600
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
CID 97084407
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
(6S)-2-(3-hydroxypropyl)-8-(2-indazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571224
2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166207781
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-5-carboxylic acid
CID 53206386
1-(2,3-dihydro-1H-inden-5-yl)-2-indazol-1-ylethanone
CID 62140198
9-(2-indazol-1-ylacetyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 86285630

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The IUPAC name of 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone (CID 154861032) is 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The canonical SMILES for 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone is O=C(Cn1ncc2ccccc21)N1CCCc2n[nH]nc21.
What is the InChIKey of 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
The InChIKey is JXYZBKLALIPNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c21-13(19-7-3-5-11-14(19)17-18-16-11)9-20-12-6-2-1-4-10(12)8-15-20/h1-2,4,6,8H,3,5,7,9H2,(H,16,17,18).
What are the key properties of 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone?
2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone has a molecular weight of 282.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-(2,5,6,7-tetrahydrotriazolo[4,5-b]pyridin-4-yl)ethanone is sourced from PubChem (CID 154861032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).