1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine

C16H18N6O — CID 68620408

IUPAC1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine
SMILESC1=NC(c2ccc(-c3ncn[nH]3)nc2)=CN(C2CCOCC2)C1
InChIInChI=1S/C16H18N6O/c1-2-14(16-19-11-20-21-16)18-9-12(1)15-10-22(6-5-17-15)13-3-7-23-8-4-13/h1-2,5,9-11,13H,3-4,6-8H2,(H,19,20,21)
InChIKeyHGWQEJPEXQNUHZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.73
Rot. Bonds3

About 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine

1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine (PubChem CID 68620408) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine.

Molecular Properties

Compound Name1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine
PubChem CID68620408
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine
SMILESC1=NC(c2ccc(-c3ncn[nH]3)nc2)=CN(C2CCOCC2)C1
InChIInChI=1S/C16H18N6O/c1-2-14(16-19-11-20-21-16)18-9-12(1)15-10-22(6-5-17-15)13-3-7-23-8-4-13/h1-2,5,9-11,13H,3-4,6-8H2,(H,19,20,21)
InChIKeyHGWQEJPEXQNUHZ-UHFFFAOYSA-N
XLogP1.73
TPSA79.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine with MolForge

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Related Compounds

1-[2-(oxan-4-yl)ethyl]-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
CID 90101638
1-(oxolan-2-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
CID 151677843
2-[5-[1-[(1S,3R)-3-methoxycyclopentyl]-2H-pyrazin-5-yl]-2-pyridinyl]propan-2-ol
CID 141403052
2,2-dimethyl-5-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-1-[2-(oxan-4-yl)ethyl]pyrazine
CID 70654147
2-chloro-5-(1H-1,2,4-triazol-5-yl)pyridine
CID 126673733
6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine
CID 141403081
4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 123632757
1-cyclohexyl-3-(oxan-4-yl)-5-(1H-1,2,4-triazol-5-yl)-1,2,4-triazole
CID 74249526
2-fluoro-5-(1H-1,2,4-triazol-5-yl)pyridine
CID 91801574
molecular hydrogen;8-[2-(oxan-4-yl)ethyl]-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 159876397
oxan-4-yl(1H-1,2,4-triazol-5-yl)methanamine
CID 65363356
2-methoxy-1-[6-(oxan-4-yl)-9-[4-(1H-1,2,4-triazol-5-yl)benzoyl]-2,6,9-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-2-yl]ethanone
CID 110064549

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine?
The IUPAC name of 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine (CID 68620408) is 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine.
What is the SMILES notation for 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine?
The canonical SMILES for 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine is C1=NC(c2ccc(-c3ncn[nH]3)nc2)=CN(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine?
The InChIKey is HGWQEJPEXQNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-2-14(16-19-11-20-21-16)18-9-12(1)15-10-22(6-5-17-15)13-3-7-23-8-4-13/h1-2,5,9-11,13H,3-4,6-8H2,(H,19,20,21).
What are the key properties of 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine?
1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine has a molecular weight of 310.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine is sourced from PubChem (CID 68620408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).