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

C17H24N6O — CID 16668368

IUPAC(3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C17H24N6O/c1-17(2,3)13-9-12(21(4)20-13)16(24)22-7-8-23-14(10-22)18-19-15(23)11-5-6-11/h9,11H,5-8,10H2,1-4H3
InChIKeyJYBPHYQDNGNONM-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds2

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

(3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 16668368) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID16668368
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCn1nc(C(C)(C)C)cc1C(=O)N1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C17H24N6O/c1-17(2,3)13-9-12(21(4)20-13)16(24)22-7-8-23-14(10-22)18-19-15(23)11-5-6-11/h9,11H,5-8,10H2,1-4H3
InChIKeyJYBPHYQDNGNONM-UHFFFAOYSA-N
XLogP1.84
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 16668368) is (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cn1nc(C(C)(C)C)cc1C(=O)N1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is JYBPHYQDNGNONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-17(2,3)13-9-12(21(4)20-13)16(24)22-7-8-23-14(10-22)18-19-15(23)11-5-6-11/h9,11H,5-8,10H2,1-4H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-5-yl)-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 16668368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).