2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone

C11H20N6O — CID 91241599

IUPAC2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CN2CNN=C2CN1
InChIInChI=1S/C11H20N6O/c1-8-4-12-2-3-17(8)11(18)9-6-16-7-14-15-10(16)5-13-9/h8-9,12-14H,2-7H2,1H3
InChIKeyDNKLJCLLJLIHMX-UHFFFAOYSA-N
MW252.32 g/mol
LogP-2.05
Rot. Bonds1

About 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone

2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone (PubChem CID 91241599) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
PubChem CID91241599
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
SMILESCC1CNCCN1C(=O)C1CN2CNN=C2CN1
InChIInChI=1S/C11H20N6O/c1-8-4-12-2-3-17(8)11(18)9-6-16-7-14-15-10(16)5-13-9/h8-9,12-14H,2-7H2,1H3
InChIKeyDNKLJCLLJLIHMX-UHFFFAOYSA-N
XLogP-2.05
TPSA72.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxamide
CID 90779595
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
CID 90868092
2,3,5,6,7,8-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(pyrrolidin-1-yl)methanone
CID 90873240
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl(piperidin-1-yl)methanone
CID 173103108
1,5,6,7,8,8a-Hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone
CID 173103117
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-ethylpiperazine-2-carboxamide
CID 65817606
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-methylpiperazine-2-carboxamide
CID 65818489
1-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 65818501
3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)-N-propan-2-ylpropanamide
CID 66274047
2-methyl-3-oxo-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]piperazine-1-carboxamide
CID 102556543
N-methyl-2-(3-oxo-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropanamide
CID 136532370

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone (CID 91241599) is 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone is CC1CNCCN1C(=O)C1CN2CNN=C2CN1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone?
The InChIKey is DNKLJCLLJLIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-8-4-12-2-3-17(8)11(18)9-6-16-7-14-15-10(16)5-13-9/h8-9,12-14H,2-7H2,1H3.
What are the key properties of 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone?
2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone has a molecular weight of 252.32 g/mol, XLogP of -2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-[1,2,4]triazolo[4,3-a]pyrazin-6-yl-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 91241599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).