N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide

C22H23N5O2 — CID 146068490

IUPACN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3)c(C)c1
InChIInChI=1S/C22H23N5O2/c1-15-8-9-18(16(2)10-15)22(29)23-11-19-20-13-26(12-17-6-4-3-5-7-17)21(28)14-27(20)25-24-19/h3-10H,11-14H2,1-2H3,(H,23,29)
InChIKeyJCBXKEQYQABQDJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.37
Rot. Bonds5

About N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide

N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide (PubChem CID 146068490) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
PubChem CID146068490
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3)c(C)c1
InChIInChI=1S/C22H23N5O2/c1-15-8-9-18(16(2)10-15)22(29)23-11-19-20-13-26(12-17-6-4-3-5-7-17)21(28)14-27(20)25-24-19/h3-10H,11-14H2,1-2H3,(H,23,29)
InChIKeyJCBXKEQYQABQDJ-UHFFFAOYSA-N
XLogP2.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide (CID 146068490) is N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2nnn3c2CN(Cc2ccccc2)C(=O)C3)c(C)c1.
What is the InChIKey of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide?
The InChIKey is JCBXKEQYQABQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-8-9-18(16(2)10-15)22(29)23-11-19-20-13-26(12-17-6-4-3-5-7-17)21(28)14-27(20)25-24-19/h3-10H,11-14H2,1-2H3,(H,23,29).
What are the key properties of N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide?
N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-6-oxo-4,7-dihydrotriazolo[1,5-a]pyrazin-3-yl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 146068490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).