ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine

C20H27N5 — CID 154685761

IUPACethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine
SMILESCC.Cc1cc2n(n1)CCN(C(C)c1ccc3nccnc3c1)CC2
InChIInChI=1S/C18H21N5.C2H6/c1-13-11-16-5-8-22(9-10-23(16)21-13)14(2)15-3-4-17-18(12-15)20-7-6-19-17;1-2/h3-4,6-7,11-12,14H,5,8-10H2,1-2H3;1-2H3
InChIKeyHEIXYNDSAIUHTP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.78
Rot. Bonds2

About ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine

ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine (PubChem CID 154685761) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine.

Molecular Properties

Compound Nameethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine
PubChem CID154685761
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Nameethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine
SMILESCC.Cc1cc2n(n1)CCN(C(C)c1ccc3nccnc3c1)CC2
InChIInChI=1S/C18H21N5.C2H6/c1-13-11-16-5-8-22(9-10-23(16)21-13)14(2)15-3-4-17-18(12-15)20-7-6-19-17;1-2/h3-4,6-7,11-12,14H,5,8-10H2,1-2H3;1-2H3
InChIKeyHEIXYNDSAIUHTP-UHFFFAOYSA-N
XLogP3.78
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine with MolForge

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Related Compounds

6-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine
CID 154685664
2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine
CID 154685732
6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
CID 164762728
3-methyl-5-[4-[(1S)-1-quinoxalin-6-ylethyl]piperazin-1-yl]-1,3,4-oxadiazol-2-one
CID 130377034
2-methyl-1-[2-[4-(1-quinoxalin-6-ylethyl)piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 130366452
6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
CID 130377123
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]quinoxaline;sulfane
CID 161243207
5-[1-(5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethyl]-1,3-benzothiazole
CID 154685591
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
7-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine;ethane
CID 154685814
2-methyl-6-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
CID 170725904
tert-butyl 4-(1-quinolin-7-ylethyl)piperazine-1-carboxylate
CID 142414052

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine?
The IUPAC name of ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine (CID 154685761) is ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine.
What is the SMILES notation for ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine?
The canonical SMILES for ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine is CC.Cc1cc2n(n1)CCN(C(C)c1ccc3nccnc3c1)CC2.
What is the InChIKey of ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine?
The InChIKey is HEIXYNDSAIUHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5.C2H6/c1-13-11-16-5-8-22(9-10-23(16)21-13)14(2)15-3-4-17-18(12-15)20-7-6-19-17;1-2/h3-4,6-7,11-12,14H,5,8-10H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine?
ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine has a molecular weight of 337.47 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepine is sourced from PubChem (CID 154685761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).