acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

C17H21N5O3 — CID 155972591

IUPACacetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCC(=O)O.O=C(C1CCc2ncnn2C1)N1CC(c2ccncc2)C1
InChIInChI=1S/C15H17N5O.C2H4O2/c21-15(12-1-2-14-17-10-18-20(14)9-12)19-7-13(8-19)11-3-5-16-6-4-11;1-2(3)4/h3-6,10,12-13H,1-2,7-9H2;1H3,(H,3,4)
InChIKeyIOYDZIJXZUVGSF-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.95
Rot. Bonds2

About acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone

acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (PubChem CID 155972591) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Nameacetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
PubChem CID155972591
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameacetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
SMILESCC(=O)O.O=C(C1CCc2ncnn2C1)N1CC(c2ccncc2)C1
InChIInChI=1S/C15H17N5O.C2H4O2/c21-15(12-1-2-14-17-10-18-20(14)9-12)19-7-13(8-19)11-3-5-16-6-4-11;1-2(3)4/h3-6,10,12-13H,1-2,7-9H2;1H3,(H,3,4)
InChIKeyIOYDZIJXZUVGSF-UHFFFAOYSA-N
XLogP0.95
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

[(1S,2R,6S,7R)-4,10-diazatricyclo[5.2.1.02,6]decan-4-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;hydrochloride
CID 163334514
(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 154820407
7,8-dihydro-5H-1,6-naphthyridin-6-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155503871
methyl 5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 155491562
spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 163305443
(1-methyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone;dihydrochloride
CID 163334523
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504807
[(3S)-1,1-dioxothiolan-3-yl]-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 126442770
[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 155504371
17-methoxy-8-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(14),15,17-triene-6,13-dione
CID 157014434
(2-benzyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 170512212
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345

Frequently Asked Questions

What is the IUPAC name of acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The IUPAC name of acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone (CID 155972591) is acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone.
What is the SMILES notation for acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The canonical SMILES for acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is CC(=O)O.O=C(C1CCc2ncnn2C1)N1CC(c2ccncc2)C1.
What is the InChIKey of acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
The InChIKey is IOYDZIJXZUVGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.C2H4O2/c21-15(12-1-2-14-17-10-18-20(14)9-12)19-7-13(8-19)11-3-5-16-6-4-11;1-2(3)4/h3-6,10,12-13H,1-2,7-9H2;1H3,(H,3,4).
What are the key properties of acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone?
acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone has a molecular weight of 343.39 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3-pyridin-4-ylazetidin-1-yl)-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone is sourced from PubChem (CID 155972591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).