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

C13H17N5 — CID 64575729

IUPAC1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCn3cnnc3C2)cc1
InChIInChI=1S/C13H17N5/c1-14-8-11-2-4-12(5-3-11)17-6-7-18-10-15-16-13(18)9-17/h2-5,10,14H,6-9H2,1H3
InChIKeyOFLAIWFXFZTQMV-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.02
Rot. Bonds3

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

1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine (PubChem CID 64575729) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
PubChem CID64575729
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(N2CCn3cnnc3C2)cc1
InChIInChI=1S/C13H17N5/c1-14-8-11-2-4-12(5-3-11)17-6-7-18-10-15-16-13(18)9-17/h2-5,10,14H,6-9H2,1H3
InChIKeyOFLAIWFXFZTQMV-UHFFFAOYSA-N
XLogP1.02
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine (CID 64575729) is 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine is CNCc1ccc(N2CCn3cnnc3C2)cc1.
What is the InChIKey of 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine?
The InChIKey is OFLAIWFXFZTQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-14-8-11-2-4-12(5-3-11)17-6-7-18-10-15-16-13(18)9-17/h2-5,10,14H,6-9H2,1H3.
What are the key properties of 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine?
1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine has a molecular weight of 243.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 64575729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).