3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one

C22H26N6O2 — CID 91891397

IUPAC3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H26N6O2/c29-21-20-19(24-25-28(20)15-18(23-21)16-7-3-1-4-8-16)22(30)27-13-11-26(12-14-27)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,23,29)
InChIKeyHMQTYAOAJJECGE-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.18
Rot. Bonds3

About 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one

3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891397) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891397
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one
SMILESO=C(c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H26N6O2/c29-21-20-19(24-25-28(20)15-18(23-21)16-7-3-1-4-8-16)22(30)27-13-11-26(12-14-27)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,23,29)
InChIKeyHMQTYAOAJJECGE-UHFFFAOYSA-N
XLogP2.18
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891397) is 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one is O=C(c1nnn2cc(-c3ccccc3)[nH]c(=O)c12)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is HMQTYAOAJJECGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-21-20-19(24-25-28(20)15-18(23-21)16-7-3-1-4-8-16)22(30)27-13-11-26(12-14-27)17-9-5-2-6-10-17/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,23,29).
What are the key properties of 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one?
3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 406.49 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylpiperazine-1-carbonyl)-6-phenyl-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).