7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C17H19N5 — CID 134789564

IUPAC7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cccc1CN1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H19N5/c1-20-9-5-8-15(20)12-21-10-11-22-16(13-21)18-19-17(22)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRGKPWEGFWWGGQG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.30
Rot. Bonds3

About 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134789564) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134789564
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cccc1CN1CCn2c(nnc2-c2ccccc2)C1
InChIInChI=1S/C17H19N5/c1-20-9-5-8-15(20)12-21-10-11-22-16(13-21)18-19-17(22)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3
InChIKeyRGKPWEGFWWGGQG-UHFFFAOYSA-N
XLogP2.30
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134789564) is 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cccc1CN1CCn2c(nnc2-c2ccccc2)C1.
What is the InChIKey of 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is RGKPWEGFWWGGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-20-9-5-8-15(20)12-21-10-11-22-16(13-21)18-19-17(22)14-6-3-2-4-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 293.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134789564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).