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

C14H17N5O — CID 64575489

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCn3cnnc3C2)cc1C
InChIInChI=1S/C14H17N5O/c1-10-7-11(3-4-12(10)15-2)14(20)18-5-6-19-9-16-17-13(19)8-18/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyMYFVKSHIBUMGKT-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.28
Rot. Bonds2

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone (PubChem CID 64575489) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
PubChem CID64575489
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
SMILESCNc1ccc(C(=O)N2CCn3cnnc3C2)cc1C
InChIInChI=1S/C14H17N5O/c1-10-7-11(3-4-12(10)15-2)14(20)18-5-6-19-9-16-17-13(19)8-18/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyMYFVKSHIBUMGKT-UHFFFAOYSA-N
XLogP1.28
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone (CID 64575489) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone is CNc1ccc(C(=O)N2CCn3cnnc3C2)cc1C.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone?
The InChIKey is MYFVKSHIBUMGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-10-7-11(3-4-12(10)15-2)14(20)18-5-6-19-9-16-17-13(19)8-18/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone has a molecular weight of 271.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone is sourced from PubChem (CID 64575489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).