3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H18N6 — CID 71932572

IUPAC3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cnn(CCN2CCn3c(nnc3C3CC3)C2)c1
InChIInChI=1S/C13H18N6/c1-4-14-18(5-1)8-6-17-7-9-19-12(10-17)15-16-13(19)11-2-3-11/h1,4-5,11H,2-3,6-10H2
InChIKeyGCIHDHQOZWYFOH-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.87
Rot. Bonds4

About 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 71932572) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID71932572
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cnn(CCN2CCn3c(nnc3C3CC3)C2)c1
InChIInChI=1S/C13H18N6/c1-4-14-18(5-1)8-6-17-7-9-19-12(10-17)15-16-13(19)11-2-3-11/h1,4-5,11H,2-3,6-10H2
InChIKeyGCIHDHQOZWYFOH-UHFFFAOYSA-N
XLogP0.87
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

6-cyclopropyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910977
4-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-2-(furan-2-yl)-1,3-thiazole
CID 71932508
6-tert-butyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910574
1-[(3S)-3-[7-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl]ethanone
CID 92625292
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
(2R)-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 96500595
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 96500568
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 96500574
4-[(3-piperidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzonitrile
CID 134790336
7-(cyclopropylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384441
2-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 71878492
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 71932572) is 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1cnn(CCN2CCn3c(nnc3C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is GCIHDHQOZWYFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-4-14-18(5-1)8-6-17-7-9-19-12(10-17)15-16-13(19)11-2-3-11/h1,4-5,11H,2-3,6-10H2.
What are the key properties of 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 258.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-(2-pyrazol-1-ylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 71932572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).