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

C15H22N6O — CID 95800652

IUPAC(5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1cc(C(C)(C)C)n(C)n1)C2
InChIInChI=1S/C15H22N6O/c1-10-16-13-9-20(6-7-21(13)17-10)14(22)11-8-12(15(2,3)4)19(5)18-11/h8H,6-7,9H2,1-5H3
InChIKeyLCYMQGGHYIYFRX-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.27
Rot. Bonds1

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

(5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (PubChem CID 95800652) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
PubChem CID95800652
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name(5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1cc(C(C)(C)C)n(C)n1)C2
InChIInChI=1S/C15H22N6O/c1-10-16-13-9-20(6-7-21(13)17-10)14(22)11-8-12(15(2,3)4)19(5)18-11/h8H,6-7,9H2,1-5H3
InChIKeyLCYMQGGHYIYFRX-UHFFFAOYSA-N
XLogP1.27
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The IUPAC name of (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone (CID 95800652) is (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The canonical SMILES for (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is Cc1nc2n(n1)CCN(C(=O)c1cc(C(C)(C)C)n(C)n1)C2.
What is the InChIKey of (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
The InChIKey is LCYMQGGHYIYFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10-16-13-9-20(6-7-21(13)17-10)14(22)11-8-12(15(2,3)4)19(5)18-11/h8H,6-7,9H2,1-5H3.
What are the key properties of (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone?
(5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1-methylpyrazol-3-yl)-(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 95800652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).