(7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C15H23N5O2 — CID 126461667

IUPAC(7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCn1cc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c(C)n1
InChIInChI=1S/C15H23N5O2/c1-4-19-8-12(10(2)17-19)7-18-5-6-20-13(9-18)14(21)16-11(3)15(20)22/h8,11,13H,4-7,9H2,1-3H3,(H,16,21)/t11-,13-/m1/s1
InChIKeyABEUOWKQGQAFFY-DGCLKSJQSA-N
MW305.38 g/mol
LogP-0.26
Rot. Bonds3

About (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

(7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 126461667) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID126461667
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCn1cc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c(C)n1
InChIInChI=1S/C15H23N5O2/c1-4-19-8-12(10(2)17-19)7-18-5-6-20-13(9-18)14(21)16-11(3)15(20)22/h8,11,13H,4-7,9H2,1-3H3,(H,16,21)/t11-,13-/m1/s1
InChIKeyABEUOWKQGQAFFY-DGCLKSJQSA-N
XLogP-0.26
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

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CID 72881294
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CID 50968875
(2S)-2-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-3-methylbutanamide
CID 46992505
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
N~1~,N~3~-dimethyl-N~3~-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-beta-alaninamide
CID 91838775
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-(4-oxopyridin-1(4H)-yl)acetamide
CID 122571078
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-(2-oxopiperazin-1-yl)acetamide
CID 138001505
1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one
CID 164638326
N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 45246033
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 103851356
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115767673
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 126822699

Frequently Asked Questions

What is the IUPAC name of (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 126461667) is (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CCn1cc(CN2CCN3C(=O)[C@@H](C)NC(=O)[C@H]3C2)c(C)n1.
What is the InChIKey of (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is ABEUOWKQGQAFFY-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-19-8-12(10(2)17-19)7-18-5-6-20-13(9-18)14(21)16-11(3)15(20)22/h8,11,13H,4-7,9H2,1-3H3,(H,16,21)/t11-,13-/m1/s1.
What are the key properties of (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
(7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 305.38 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9aR)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 126461667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).