(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone

C17H22N6O2 — CID 73305376

IUPAC(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CCn4c(nnc4C4CC4)C3)NN2)o1
InChIInChI=1S/C17H22N6O2/c1-10-2-5-14(25-10)12-8-13(19-18-12)17(24)22-6-7-23-15(9-22)20-21-16(23)11-3-4-11/h2,5,11-13,18-19H,3-4,6-9H2,1H3
InChIKeyBYTQNVKECIMOOF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.01
Rot. Bonds3

About (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone (PubChem CID 73305376) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
PubChem CID73305376
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone
SMILESCc1ccc(C2CC(C(=O)N3CCn4c(nnc4C4CC4)C3)NN2)o1
InChIInChI=1S/C17H22N6O2/c1-10-2-5-14(25-10)12-8-13(19-18-12)17(24)22-6-7-23-15(9-22)20-21-16(23)11-3-4-11/h2,5,11-13,18-19H,3-4,6-9H2,1H3
InChIKeyBYTQNVKECIMOOF-UHFFFAOYSA-N
XLogP1.01
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
The IUPAC name of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone (CID 73305376) is (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
The canonical SMILES for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone is Cc1ccc(C2CC(C(=O)N3CCn4c(nnc4C4CC4)C3)NN2)o1.
What is the InChIKey of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
The InChIKey is BYTQNVKECIMOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10-2-5-14(25-10)12-8-13(19-18-12)17(24)22-6-7-23-15(9-22)20-21-16(23)11-3-4-11/h2,5,11-13,18-19H,3-4,6-9H2,1H3.
What are the key properties of (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone?
(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[5-(5-methylfuran-2-yl)pyrazolidin-3-yl]methanone is sourced from PubChem (CID 73305376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).