3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

C19H19N7O2 — CID 24983903

IUPAC3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2n1CC1CCOCC1
InChIInChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25)
InChIKeyNHRWVYXOCMJUIS-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.00
Rot. Bonds4

About 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 24983903) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID24983903
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESO=c1[nH]c2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2n1CC1CCOCC1
InChIInChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25)
InChIKeyNHRWVYXOCMJUIS-UHFFFAOYSA-N
XLogP2.00
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 24983903) is 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is O=c1[nH]c2ncc(-c3ccc(-c4ncn[nH]4)cc3)nc2n1CC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is NHRWVYXOCMJUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c27-19-24-17-18(26(19)10-12-5-7-28-8-6-12)23-15(9-20-17)13-1-3-14(4-2-13)16-21-11-22-25-16/h1-4,9,11-12H,5-8,10H2,(H,20,24,27)(H,21,22,25).
What are the key properties of 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 377.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 24983903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).