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

C20H24N6O2 — CID 126801970

IUPAC(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)c1ccccc1Oc1cnn(C)c1)C2C
InChIInChI=1S/C20H24N6O2/c1-13(2)18-22-23-19-14(3)25(9-10-26(18)19)20(27)16-7-5-6-8-17(16)28-15-11-21-24(4)12-15/h5-8,11-14H,9-10H2,1-4H3
InChIKeyHVOSVUWYQSEADG-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.14
Rot. Bonds4

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

(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone (PubChem CID 126801970) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone.

Molecular Properties

Compound Name(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone
PubChem CID126801970
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone
SMILESCC(C)c1nnc2n1CCN(C(=O)c1ccccc1Oc1cnn(C)c1)C2C
InChIInChI=1S/C20H24N6O2/c1-13(2)18-22-23-19-14(3)25(9-10-26(18)19)20(27)16-7-5-6-8-17(16)28-15-11-21-24(4)12-15/h5-8,11-14H,9-10H2,1-4H3
InChIKeyHVOSVUWYQSEADG-UHFFFAOYSA-N
XLogP3.14
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone?
The IUPAC name of (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone (CID 126801970) is (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone.
What is the SMILES notation for (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone?
The canonical SMILES for (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone is CC(C)c1nnc2n1CCN(C(=O)c1ccccc1Oc1cnn(C)c1)C2C.
What is the InChIKey of (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone?
The InChIKey is HVOSVUWYQSEADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-13(2)18-22-23-19-14(3)25(9-10-26(18)19)20(27)16-7-5-6-8-17(16)28-15-11-21-24(4)12-15/h5-8,11-14H,9-10H2,1-4H3.
What are the key properties of (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone?
(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone has a molecular weight of 380.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[2-(1-methylpyrazol-4-yl)oxyphenyl]methanone is sourced from PubChem (CID 126801970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).