[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone

C16H21N5O2 — CID 128986621

IUPAC[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCc1nnc2n1CCN(C1CN(C(=O)c3ccoc3C)C1)C2
InChIInChI=1S/C16H21N5O2/c1-3-14-17-18-15-10-19(5-6-21(14)15)12-8-20(9-12)16(22)13-4-7-23-11(13)2/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyQTIDVIIHMFBXGY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.08
Rot. Bonds3

About [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 128986621) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID128986621
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCCc1nnc2n1CCN(C1CN(C(=O)c3ccoc3C)C1)C2
InChIInChI=1S/C16H21N5O2/c1-3-14-17-18-15-10-19(5-6-21(14)15)12-8-20(9-12)16(22)13-4-7-23-11(13)2/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyQTIDVIIHMFBXGY-UHFFFAOYSA-N
XLogP1.08
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2R)-2-methylsulfanylpropyl]azetidine-1-carboxamide
CID 129337717
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-2-methylfuran-3-carboxamide
CID 71896191
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[(7R,8aS)-7-(2-pyrrolidin-1-ylethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylfuran-3-yl)methanone
CID 97408104
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
1-(2-methylfuran-3-carbonyl)-N,N-dipropylpiperidine-3-carboxamide
CID 42780033
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
[4-(5-ethyl-2-hydroxybenzoyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
CID 51102388
[4-(4-butyltriazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 31105407

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 128986621) is [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone is CCc1nnc2n1CCN(C1CN(C(=O)c3ccoc3C)C1)C2.
What is the InChIKey of [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is QTIDVIIHMFBXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-14-17-18-15-10-19(5-6-21(14)15)12-8-20(9-12)16(22)13-4-7-23-11(13)2/h4,7,12H,3,5-6,8-10H2,1-2H3.
What are the key properties of [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)azetidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 128986621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).