3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C19H19N7 — CID 154868711

IUPAC3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(Cc2nnc3n2CCN(Cc2ccn4ncnc4c2)C3)cc1
InChIInChI=1S/C19H19N7/c1-2-4-15(5-3-1)10-18-22-23-19-13-24(8-9-25(18)19)12-16-6-7-26-17(11-16)20-14-21-26/h1-7,11,14H,8-10,12-13H2
InChIKeyNMXICDFNEHOTEC-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.93
Rot. Bonds4

About 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 154868711) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID154868711
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(Cc2nnc3n2CCN(Cc2ccn4ncnc4c2)C3)cc1
InChIInChI=1S/C19H19N7/c1-2-4-15(5-3-1)10-18-22-23-19-13-24(8-9-25(18)19)12-16-6-7-26-17(11-16)20-14-21-26/h1-7,11,14H,8-10,12-13H2
InChIKeyNMXICDFNEHOTEC-UHFFFAOYSA-N
XLogP1.93
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-7-[(3-cyclopropyl-1-methylpyrazol-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 136568465
7-benzyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 90906313
(2S)-1-(3-benzyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 129353543
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
5-[(3-benzyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methyl]-2-phenyl-1,3-thiazole
CID 42423475
3-benzyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151561
[7-[(1-benzylpiperidin-4-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]methanol
CID 46966008
3-[(2-fluorophenyl)methyl]-7-[(3-fluoro-2-pyridinyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 167813716
7-[(3-chlorophenyl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 163351841
7-[[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 166265298
3-benzyl-7-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 162636365
3-benzyl-N-(2,4-dichlorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 166231119

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 154868711) is 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(Cc2nnc3n2CCN(Cc2ccn4ncnc4c2)C3)cc1.
What is the InChIKey of 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NMXICDFNEHOTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-2-4-15(5-3-1)10-18-22-23-19-13-24(8-9-25(18)19)12-16-6-7-26-17(11-16)20-14-21-26/h1-7,11,14H,8-10,12-13H2.
What are the key properties of 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 345.41 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 154868711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).