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

C13H22N4O — CID 65159846

IUPAC8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c1nnc2C1C(C)OC(C)C1C
InChIInChI=1S/C13H22N4O/c1-7-9(3)18-10(4)11(7)13-16-15-12-8(2)14-5-6-17(12)13/h7-11,14H,5-6H2,1-4H3
InChIKeyCTRXMQZSPCNOFN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.47
Rot. Bonds1

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

8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65159846) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65159846
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1NCCn2c1nnc2C1C(C)OC(C)C1C
InChIInChI=1S/C13H22N4O/c1-7-9(3)18-10(4)11(7)13-16-15-12-8(2)14-5-6-17(12)13/h7-11,14H,5-6H2,1-4H3
InChIKeyCTRXMQZSPCNOFN-UHFFFAOYSA-N
XLogP1.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75516194
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
CID 91660543
2-(oxolan-3-yl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
CID 64574943
N-ethyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
CID 81235164
4-Methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]butan-1-amine
CID 81250198
N-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]oxolan-3-amine
CID 81250907
3-(4-Methoxypyrrolidin-2-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252244
3-Methoxy-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81252445
1-(oxolan-3-yl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
CID 104746519
N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxepan-4-amine
CID 136519994
5,5-dimethyl-N-[[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]oxolan-3-amine
CID 167982639
3-(Tetrahydro-2H-pyran-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 62905533

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 65159846) is 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is CC1NCCn2c1nnc2C1C(C)OC(C)C1C.
What is the InChIKey of 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is CTRXMQZSPCNOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-7-9(3)18-10(4)11(7)13-16-15-12-8(2)14-5-6-17(12)13/h7-11,14H,5-6H2,1-4H3.
What are the key properties of 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 250.35 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2,4,5-trimethyloxolan-3-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65159846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).