3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one

C21H21N7O2 — CID 177060777

IUPAC3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESCCOc1ccccc1Nc1nccn(-c2ccc(CCc3nn[nH]n3)cc2)c1=O
InChIInChI=1S/C21H21N7O2/c1-2-30-18-6-4-3-5-17(18)23-20-21(29)28(14-13-22-20)16-10-7-15(8-11-16)9-12-19-24-26-27-25-19/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,22,23)(H,24,25,26,27)
InChIKeyVCWDUTUTHNTGPZ-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.67
Rot. Bonds8

About 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one

3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (PubChem CID 177060777) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.

Molecular Properties

Compound Name3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
PubChem CID177060777
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
SMILESCCOc1ccccc1Nc1nccn(-c2ccc(CCc3nn[nH]n3)cc2)c1=O
InChIInChI=1S/C21H21N7O2/c1-2-30-18-6-4-3-5-17(18)23-20-21(29)28(14-13-22-20)16-10-7-15(8-11-16)9-12-19-24-26-27-25-19/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,22,23)(H,24,25,26,27)
InChIKeyVCWDUTUTHNTGPZ-UHFFFAOYSA-N
XLogP2.67
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-methyl-2-(2,2,2-trifluoroethoxy)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060751
3-(2-chloro-4-methoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060723
3-(4-cyclopropyl-2-fluoroanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060542
3-[3-fluoro-4-(2,2,2-trifluoroethoxy)anilino]-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060610
3-(2-chloro-4-cyclopentyloxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one
CID 177060611
N-(2-ethoxyphenyl)tetrazolo[5,1-a]phthalazin-6-amine
CID 20934834
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
CID 20941568
3-[(3,4-dimethoxyphenyl)methylamino]-1-(4-methoxyphenyl)pyrazin-2-one
CID 18591886
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
3-[(4-chlorophenyl)methylamino]-1-(4-fluorophenyl)pyrazin-2-one
CID 20941583
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The IUPAC name of 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one (CID 177060777) is 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one.
What is the SMILES notation for 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The canonical SMILES for 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is CCOc1ccccc1Nc1nccn(-c2ccc(CCc3nn[nH]n3)cc2)c1=O.
What is the InChIKey of 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
The InChIKey is VCWDUTUTHNTGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-2-30-18-6-4-3-5-17(18)23-20-21(29)28(14-13-22-20)16-10-7-15(8-11-16)9-12-19-24-26-27-25-19/h3-8,10-11,13-14H,2,9,12H2,1H3,(H,22,23)(H,24,25,26,27).
What are the key properties of 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one?
3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one has a molecular weight of 403.45 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyanilino)-1-[4-[2-(2H-tetrazol-5-yl)ethyl]phenyl]pyrazin-2-one is sourced from PubChem (CID 177060777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).