3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride

C7H13Cl2N5O — CID 126836949

IUPAC3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride
SMILESCNCc1nnc2n1CCNC2=O.Cl.Cl
InChIInChI=1S/C7H11N5O.2ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;;/h8H,2-4H2,1H3,(H,9,13);2*1H
InChIKeyKFTSDXHQNVQZIF-UHFFFAOYSA-N
MW254.12 g/mol
LogP-0.42
Rot. Bonds2

About 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride

3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride (PubChem CID 126836949) has the molecular formula C7H13Cl2N5O and a molecular weight of 254.12 g/mol. Its IUPAC name is 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride.

Molecular Properties

Compound Name3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride
PubChem CID126836949
Molecular FormulaC7H13Cl2N5O
Molecular Weight254.12 g/mol
Exact Mass253.05
IUPAC Name3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride
SMILESCNCc1nnc2n1CCNC2=O.Cl.Cl
InChIInChI=1S/C7H11N5O.2ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;;/h8H,2-4H2,1H3,(H,9,13);2*1H
InChIKeyKFTSDXHQNVQZIF-UHFFFAOYSA-N
XLogP-0.42
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride 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 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride?
The IUPAC name of 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride (CID 126836949) is 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride.
What is the SMILES notation for 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride?
The canonical SMILES for 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride is CNCc1nnc2n1CCNC2=O.Cl.Cl.
What is the InChIKey of 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride?
The InChIKey is KFTSDXHQNVQZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O.2ClH/c1-8-4-5-10-11-6-7(13)9-2-3-12(5)6;;/h8H,2-4H2,1H3,(H,9,13);2*1H.
What are the key properties of 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride?
3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride has a molecular weight of 254.12 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;dihydrochloride is sourced from PubChem (CID 126836949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).