8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C13H19N5O2S — CID 91838845

IUPAC8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCNc1nc(CN2CCN3C(=O)CN(C)C(=O)C3C2)cs1
InChIInChI=1S/C13H19N5O2S/c1-14-13-15-9(8-21-13)5-17-3-4-18-10(6-17)12(20)16(2)7-11(18)19/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyRMVHWRPTCXSMBP-UHFFFAOYSA-N
MW309.40 g/mol
LogP-0.33
Rot. Bonds3

About 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 91838845) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID91838845
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCNc1nc(CN2CCN3C(=O)CN(C)C(=O)C3C2)cs1
InChIInChI=1S/C13H19N5O2S/c1-14-13-15-9(8-21-13)5-17-3-4-18-10(6-17)12(20)16(2)7-11(18)19/h8,10H,3-7H2,1-2H3,(H,14,15)
InChIKeyRMVHWRPTCXSMBP-UHFFFAOYSA-N
XLogP-0.33
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione with MolForge

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Related Compounds

2-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 74242811
3-butyl-1-methyl-4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-2-one
CID 70742063
3-methyl-7-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56912482
N-methyl-4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-amine
CID 91839682
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)propanamide
CID 91833836
1-[4-[4-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 91836525
2-(3-hydroxypropyl)-8-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 72868026
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 50973037
N-methyl-4-[(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine
CID 72897502
(9aR)-2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95140203
2-[4-[(2-acetamido-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 43521730
N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
CID 97130325

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 91838845) is 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CNc1nc(CN2CCN3C(=O)CN(C)C(=O)C3C2)cs1.
What is the InChIKey of 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is RMVHWRPTCXSMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-14-13-15-9(8-21-13)5-17-3-4-18-10(6-17)12(20)16(2)7-11(18)19/h8,10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 309.40 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 91838845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).