3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H18N6 — CID 104672382

IUPAC3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc(C)cc1-c1nnc2n1CCNC2C
InChIInChI=1S/C13H18N6/c1-4-11-10(7-8(2)15-16-11)13-18-17-12-9(3)14-5-6-19(12)13/h7,9,14H,4-6H2,1-3H3
InChIKeyFHKQPVIZXTYZGJ-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.27
Rot. Bonds2

About 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 104672382) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID104672382
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1nnc(C)cc1-c1nnc2n1CCNC2C
InChIInChI=1S/C13H18N6/c1-4-11-10(7-8(2)15-16-11)13-18-17-12-9(3)14-5-6-19(12)13/h7,9,14H,4-6H2,1-3H3
InChIKeyFHKQPVIZXTYZGJ-UHFFFAOYSA-N
XLogP1.27
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 104672382) is 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CCc1nnc(C)cc1-c1nnc2n1CCNC2C.
What is the InChIKey of 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FHKQPVIZXTYZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-11-10(7-8(2)15-16-11)13-18-17-12-9(3)14-5-6-19(12)13/h7,9,14H,4-6H2,1-3H3.
What are the key properties of 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 258.33 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-6-methylpyridazin-4-yl)-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 104672382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).