3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C20H30N6O — CID 164642490

IUPAC3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCn1cc([C@H]2OCC[C@@H]2CN2CCn3c(nnc3C3CCCC3)C2)cn1
InChIInChI=1S/C20H30N6O/c1-2-25-13-17(11-21-25)19-16(7-10-27-19)12-24-8-9-26-18(14-24)22-23-20(26)15-5-3-4-6-15/h11,13,15-16,19H,2-10,12,14H2,1H3/t16-,19+/m1/s1
InChIKeyWBSBMQBUOODLIF-APWZRJJASA-N
MW370.50 g/mol
LogP2.75
Rot. Bonds5

About 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 164642490) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID164642490
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCn1cc([C@H]2OCC[C@@H]2CN2CCn3c(nnc3C3CCCC3)C2)cn1
InChIInChI=1S/C20H30N6O/c1-2-25-13-17(11-21-25)19-16(7-10-27-19)12-24-8-9-26-18(14-24)22-23-20(26)15-5-3-4-6-15/h11,13,15-16,19H,2-10,12,14H2,1H3/t16-,19+/m1/s1
InChIKeyWBSBMQBUOODLIF-APWZRJJASA-N
XLogP2.75
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 164642490) is 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCn1cc([C@H]2OCC[C@@H]2CN2CCn3c(nnc3C3CCCC3)C2)cn1.
What is the InChIKey of 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WBSBMQBUOODLIF-APWZRJJASA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-25-13-17(11-21-25)19-16(7-10-27-19)12-24-8-9-26-18(14-24)22-23-20(26)15-5-3-4-6-15/h11,13,15-16,19H,2-10,12,14H2,1H3/t16-,19+/m1/s1.
What are the key properties of 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 370.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-7-[[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 164642490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).