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

C20H20N6O — CID 133327677

IUPAC6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)nc1
InChIInChI=1S/C20H20N6O/c1-2-10-21-20(27)16-8-9-17(22-13-16)25-11-12-26-18(14-25)23-24-19(26)15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,21,27)
InChIKeyQVCYVWNSTIGFEZ-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.28
Rot. Bonds5

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

6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133327677) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133327677
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)nc1
InChIInChI=1S/C20H20N6O/c1-2-10-21-20(27)16-8-9-17(22-13-16)25-11-12-26-18(14-25)23-24-19(26)15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,21,27)
InChIKeyQVCYVWNSTIGFEZ-UHFFFAOYSA-N
XLogP2.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide (CID 133327677) is 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(N2CCn3c(nnc3-c3ccccc3)C2)nc1.
What is the InChIKey of 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is QVCYVWNSTIGFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-2-10-21-20(27)16-8-9-17(22-13-16)25-11-12-26-18(14-25)23-24-19(26)15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2,(H,21,27).
What are the key properties of 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide?
6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133327677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).