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

C20H21N7O — CID 57399544

IUPAC3-(cyclohexylmethyl)-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)nc2n1CC1CCCCC1
InChIInChI=1S/C20H21N7O/c28-20-25-18-19(27(20)11-13-4-2-1-3-5-13)24-16(10-21-18)14-6-8-15(9-7-14)17-22-12-23-26-17/h6-10,12-13H,1-5,11H2,(H,21,25,28)(H,22,23,26)
InChIKeyCFMIKFFITYIZAA-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.15
Rot. Bonds4

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

3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 57399544) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID57399544
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name3-(cyclohexylmethyl)-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)nc2n1CC1CCCCC1
InChIInChI=1S/C20H21N7O/c28-20-25-18-19(27(20)11-13-4-2-1-3-5-13)24-16(10-21-18)14-6-8-15(9-7-14)17-22-12-23-26-17/h6-10,12-13H,1-5,11H2,(H,21,25,28)(H,22,23,26)
InChIKeyCFMIKFFITYIZAA-UHFFFAOYSA-N
XLogP3.15
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 57399544) is 3-(cyclohexylmethyl)-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-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethyl)-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)nc2n1CC1CCCCC1.
What is the InChIKey of 3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is CFMIKFFITYIZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c28-20-25-18-19(27(20)11-13-4-2-1-3-5-13)24-16(10-21-18)14-6-8-15(9-7-14)17-22-12-23-26-17/h6-10,12-13H,1-5,11H2,(H,21,25,28)(H,22,23,26).
What are the key properties of 3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 375.44 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 57399544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).