3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C20H24N6 — CID 136568465

IUPAC3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(CN2CCn3c(Cc4ccccc4)nnc3C2)c(C2CC2)n1
InChIInChI=1S/C20H24N6/c1-24-12-17(20(23-24)16-7-8-16)13-25-9-10-26-18(21-22-19(26)14-25)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13-14H2,1H3
InChIKeyUXXWFVGXGASKSR-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.50
Rot. Bonds5

About 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 136568465) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID136568465
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(CN2CCn3c(Cc4ccccc4)nnc3C2)c(C2CC2)n1
InChIInChI=1S/C20H24N6/c1-24-12-17(20(23-24)16-7-8-16)13-25-9-10-26-18(21-22-19(26)14-25)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13-14H2,1H3
InChIKeyUXXWFVGXGASKSR-UHFFFAOYSA-N
XLogP2.50
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 136568465) is 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cc(CN2CCn3c(Cc4ccccc4)nnc3C2)c(C2CC2)n1.
What is the InChIKey of 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is UXXWFVGXGASKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-24-12-17(20(23-24)16-7-8-16)13-25-9-10-26-18(21-22-19(26)14-25)11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13-14H2,1H3.
What are the key properties of 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 348.45 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 136568465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).