3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C13H24N4O — CID 102791695

IUPAC3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)CCc1nnc2n1CCNC2C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)12-13-16-15-11(6-5-10(3)18-4)17(13)8-7-14-12/h9-10,12,14H,5-8H2,1-4H3
InChIKeyKYEOVCCQOQMHTR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds5

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

3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102791695) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102791695
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCOC(C)CCc1nnc2n1CCNC2C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)12-13-16-15-11(6-5-10(3)18-4)17(13)8-7-14-12/h9-10,12,14H,5-8H2,1-4H3
InChIKeyKYEOVCCQOQMHTR-UHFFFAOYSA-N
XLogP1.55
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

3-(cyclopropylmethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791700
3-(2-phenoxyethyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791803
3-[(2-methylphenyl)methyl]-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791754
3-heptan-3-yl-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791801
8-ethyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791574
5-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-1H-pyridin-2-one
CID 136742922
3-ethyl-8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62586453
8-ethyl-3-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791548
2-(8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)thiane 1,1-dioxide
CID 102791668
3-(2,3-dihydro-1-benzofuran-2-yl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791808
8-tert-butyl-3-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 103217898
3-(2-methylpropyl)-8-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102792444

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102791695) is 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is COC(C)CCc1nnc2n1CCNC2C(C)C.
What is the InChIKey of 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KYEOVCCQOQMHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)12-13-16-15-11(6-5-10(3)18-4)17(13)8-7-14-12/h9-10,12,14H,5-8H2,1-4H3.
What are the key properties of 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 252.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxybutyl)-8-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).