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

C13H18ClN5O2 — CID 74242811

IUPAC2-[(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
SMILESCc1[nH]nc(CN2CCN3C(=O)CN(C)C(=O)C3C2)c1Cl
InChIInChI=1S/C13H18ClN5O2/c1-8-12(14)9(16-15-8)5-18-3-4-19-10(6-18)13(21)17(2)7-11(19)20/h10H,3-7H2,1-2H3,(H,15,16)
InChIKeyNTRFQUWVKGIWJM-UHFFFAOYSA-N
MW311.77 g/mol
LogP-0.14
Rot. Bonds2

About 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

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 (PubChem CID 74242811) has the molecular formula C13H18ClN5O2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID74242811
Molecular FormulaC13H18ClN5O2
Molecular Weight311.77 g/mol
Exact Mass311.11
IUPAC Name2-[(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
SMILESCc1[nH]nc(CN2CCN3C(=O)CN(C)C(=O)C3C2)c1Cl
InChIInChI=1S/C13H18ClN5O2/c1-8-12(14)9(16-15-8)5-18-3-4-19-10(6-18)13(21)17(2)7-11(19)20/h10H,3-7H2,1-2H3,(H,15,16)
InChIKeyNTRFQUWVKGIWJM-UHFFFAOYSA-N
XLogP-0.14
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]nc(CN2CCN3C(=O)CN(C)C(=O)C3C2)c1Cl.
What is the InChIKey of 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?
The InChIKey is NTRFQUWVKGIWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O2/c1-8-12(14)9(16-15-8)5-18-3-4-19-10(6-18)13(21)17(2)7-11(19)20/h10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 311.77 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 74242811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).