5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole

C11H15N5O — CID 170601986

IUPAC5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2nn3c(c2C)CNCCC3)no1
InChIInChI=1S/C11H15N5O/c1-7-9-6-12-4-3-5-16(9)14-10(7)11-13-8(2)17-15-11/h12H,3-6H2,1-2H3
InChIKeyZKMISQQVZCZOLI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.04
Rot. Bonds1

About 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole

5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole (PubChem CID 170601986) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
PubChem CID170601986
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
SMILESCc1nc(-c2nn3c(c2C)CNCCC3)no1
InChIInChI=1S/C11H15N5O/c1-7-9-6-12-4-3-5-16(9)14-10(7)11-13-8(2)17-15-11/h12H,3-6H2,1-2H3
InChIKeyZKMISQQVZCZOLI-UHFFFAOYSA-N
XLogP1.04
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole (CID 170601986) is 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole is Cc1nc(-c2nn3c(c2C)CNCCC3)no1.
What is the InChIKey of 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZKMISQQVZCZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-9-6-12-4-3-5-16(9)14-10(7)11-13-8(2)17-15-11/h12H,3-6H2,1-2H3.
What are the key properties of 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole?
5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole has a molecular weight of 233.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 170601986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).