ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid

C11H19N3O2 — CID 142538378

IUPACethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid
SMILESCC.Cc1cn2c(n1)CN(CC(=O)O)CC2
InChIInChI=1S/C9H13N3O2.C2H6/c1-7-4-12-3-2-11(6-9(13)14)5-8(12)10-7;1-2/h4H,2-3,5-6H2,1H3,(H,13,14);1-2H3
InChIKeyUZGAROPZIUPDCR-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.12
Rot. Bonds2

About ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid

ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid (PubChem CID 142538378) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid
PubChem CID142538378
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid
SMILESCC.Cc1cn2c(n1)CN(CC(=O)O)CC2
InChIInChI=1S/C9H13N3O2.C2H6/c1-7-4-12-3-2-11(6-9(13)14)5-8(12)10-7;1-2/h4H,2-3,5-6H2,1H3,(H,13,14);1-2H3
InChIKeyUZGAROPZIUPDCR-UHFFFAOYSA-N
XLogP1.12
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
CID 139573560
1-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 154802880
2-[(2-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl)methyl]pyridine-4-carboxylic acid
CID 118421371
2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
CID 126796985
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-2-one
CID 64577447
2-[9-(carboxymethyl)-6-(2-oxoethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]acetic acid;ethane
CID 166074887
2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid
CID 169193966
2-[13-amino-3,9-bis(carboxymethyl)-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]acetic acid
CID 18517251
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
2-[5-(carboxymethyl)-9-(2-oxopropyl)-1,5,9-triazacyclododec-1-yl]acetic acid;ethane
CID 177180510
N,N-dimethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetamide
CID 97390308

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid?
The IUPAC name of ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid (CID 142538378) is ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid.
What is the SMILES notation for ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid?
The canonical SMILES for ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid is CC.Cc1cn2c(n1)CN(CC(=O)O)CC2.
What is the InChIKey of ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid?
The InChIKey is UZGAROPZIUPDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.C2H6/c1-7-4-12-3-2-11(6-9(13)14)5-8(12)10-7;1-2/h4H,2-3,5-6H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid?
ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)acetic acid is sourced from PubChem (CID 142538378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).