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

C13H18N6O — CID 110244899

IUPAC(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2
InChIInChI=1S/C13H18N6O/c1-8(2)10-6-11(16-15-10)13(20)18-4-5-19-12(7-18)14-9(3)17-19/h6,8H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyYGRJPPCINYKIRG-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.09
Rot. Bonds2

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

(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 110244899) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID110244899
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nc2n(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2
InChIInChI=1S/C13H18N6O/c1-8(2)10-6-11(16-15-10)13(20)18-4-5-19-12(7-18)14-9(3)17-19/h6,8H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyYGRJPPCINYKIRG-UHFFFAOYSA-N
XLogP1.09
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 110244899) is (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1nc2n(n1)CCN(C(=O)c1cc(C(C)C)[nH]n1)C2.
What is the InChIKey of (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is YGRJPPCINYKIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8(2)10-6-11(16-15-10)13(20)18-4-5-19-12(7-18)14-9(3)17-19/h6,8H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 274.33 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 110244899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).